N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide

C29H55N5O6 — CID 20708624

IUPACN-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
SMILESCCN(CC)CC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C
InChIInChI=1S/C29H55N5O6/c1-12-33(13-2)18-24(35)19(3)27(40-11)23-15-14-16-34(23)26(36)17-25(39-10)21(5)32(9)29(38)20(4)30-28(37)22(6)31(7)8/h19-23,25,27H,12-18H2,1-11H3,(H,30,37)
InChIKeyYTNYMZKUYGCQBT-UHFFFAOYSA-N
MW569.79 g/mol
LogP1.25
Rot. Bonds17

About N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide

N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide (PubChem CID 20708624) has the molecular formula C29H55N5O6 and a molecular weight of 569.79 g/mol. Its IUPAC name is N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
PubChem CID20708624
Molecular FormulaC29H55N5O6
Molecular Weight569.79 g/mol
Exact Mass569.42
IUPAC NameN-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide
SMILESCCN(CC)CC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C
InChIInChI=1S/C29H55N5O6/c1-12-33(13-2)18-24(35)19(3)27(40-11)23-15-14-16-34(23)26(36)17-25(39-10)21(5)32(9)29(38)20(4)30-28(37)22(6)31(7)8/h19-23,25,27H,12-18H2,1-11H3,(H,30,37)
InChIKeyYTNYMZKUYGCQBT-UHFFFAOYSA-N
XLogP1.25
TPSA111.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide with MolForge

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Related Compounds

(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoic acid
CID 10579445
(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-N-hydroxy-4-methylpentanamide
CID 72201583
(3R,6S,9S,12S,15S,18R,19R)-6-[[(3S)-1-(2-aminoethyl)pyrrolidin-3-yl]oxymethyl]-9-(aminomethyl)-12-cycloheptyl-19-hexyl-3,16,18-trimethyl-15-propyl-1-oxa-4,7,10,13,16-pentazacyclononadecane-5,8,11,14,17-pentone
CID 155121084
Desaetophenineaetokthonostatin
CID 168010308
(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(2R,3R)-3-methyl-5-propan-2-yloxolan-2-yl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 162656448
{(4R,5R)-5-[(2S,5S,11S,14S,17S,20S,23R,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2-yl]-4-methyltetrahydrofuran-2-yl}acetaldehyde
CID 132282520
N-[1-(4-fluoro-2-methylpyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-formamido-N-methylacetamide
CID 145135099
N-[2-[[1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-2-propan-2-ylpentanamide
CID 145135127
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
N-(2-fluoroethyl)-3-[1-[4-[(2-formamidoacetyl)-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanamide
CID 172288781
N-[2-[[1-[2-[3-(2-fluoroethylamino)-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-2-oxoethyl]-3-methyl-2-(sulfanylamino)butanamide
CID 172288792
2,2,3-trimethyl-N-[1-[methyl-[1-[methyl-[4-methyl-1-[[3-methyl-1-[methyl-[4-methyl-1-oxo-1-(2-oxooctan-3-ylamino)pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-5-propan-2-yl-1,3-oxazolidine-4-carboxamide
CID 20703139

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?
The IUPAC name of N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide (CID 20708624) is N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide.
What is the SMILES notation for N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?
The canonical SMILES for N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide is CCN(CC)CC(=O)C(C)C(OC)C1CCCN1C(=O)CC(OC)C(C)N(C)C(=O)C(C)NC(=O)C(C)N(C)C.
What is the InChIKey of N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?
The InChIKey is YTNYMZKUYGCQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H55N5O6/c1-12-33(13-2)18-24(35)19(3)27(40-11)23-15-14-16-34(23)26(36)17-25(39-10)21(5)32(9)29(38)20(4)30-28(37)22(6)31(7)8/h19-23,25,27H,12-18H2,1-11H3,(H,30,37).
What are the key properties of N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide?
N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide has a molecular weight of 569.79 g/mol, XLogP of 1.25, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[4-(diethylamino)-1-methoxy-2-methyl-3-oxobutyl]pyrrolidin-1-yl]-3-methoxy-5-oxopentan-2-yl]-2-[2-(dimethylamino)propanoylamino]-N-methylpropanamide is sourced from PubChem (CID 20708624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).