N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide

C26H49N3O5 — CID 123277034

IUPACN-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(N)=O)OC)N(C)C(=O)C(C)CC(C)C
InChIInChI=1S/C26H49N3O5/c1-10-17(4)23(28(7)26(32)18(5)14-16(2)3)21(33-8)15-22(30)29-13-11-12-20(29)24(34-9)19(6)25(27)31/h16-21,23-24H,10-15H2,1-9H3,(H2,27,31)
InChIKeyYSDAEUOWCCUTEN-UHFFFAOYSA-N
MW483.69 g/mol
LogP3.07
Rot. Bonds14

About N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide

N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide (PubChem CID 123277034) has the molecular formula C26H49N3O5 and a molecular weight of 483.69 g/mol. Its IUPAC name is N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide
PubChem CID123277034
Molecular FormulaC26H49N3O5
Molecular Weight483.69 g/mol
Exact Mass483.37
IUPAC NameN-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide
SMILESCCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(N)=O)OC)N(C)C(=O)C(C)CC(C)C
InChIInChI=1S/C26H49N3O5/c1-10-17(4)23(28(7)26(32)18(5)14-16(2)3)21(33-8)15-22(30)29-13-11-12-20(29)24(34-9)19(6)25(27)31/h16-21,23-24H,10-15H2,1-9H3,(H2,27,31)
InChIKeyYSDAEUOWCCUTEN-UHFFFAOYSA-N
XLogP3.07
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-ethyl-3-(1-fluoropyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 168957805
Fluoro 3-methoxy-3-[1-[3-methoxy-5-methyl-4-(methylamino)heptanoyl]pyrrolidin-2-yl]-2-methylpropanoate
CID 169183615
N-(7-amino-7-oxoheptyl)-N-fluoro-3-methoxy-5-methyl-4-[methyl(3-methylbutanoyl)amino]heptanamide
CID 142398729
4-(Dimethylamino)-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxy-5-methylheptan-1-one
CID 145134951
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
4-Butan-2-yl-1-[4-fluoro-2-(1-methoxy-2-methylpropyl)pyrrolidin-1-yl]-3-methoxyoctan-1-one
CID 145135146
3-[4-fluoro-1-(3-methoxy-4,5-dimethylheptanoyl)pyrrolidin-2-yl]-3-methoxy-N,2-dimethylpropanamide
CID 145135171
N-(2-fluoroethyl)-3-(1-formylpyrrolidin-2-yl)-3-methoxy-2-methylpropanamide
CID 172288767
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
tert-butyl (2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-(2-morpholin-4-ylethylamino)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 12066439

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide?
The IUPAC name of N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide (CID 123277034) is N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide.
What is the SMILES notation for N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide?
The canonical SMILES for N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide is CCC(C)C(C(CC(=O)N1CCCC1C(OC)C(C)C(N)=O)OC)N(C)C(=O)C(C)CC(C)C.
What is the InChIKey of N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide?
The InChIKey is YSDAEUOWCCUTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3O5/c1-10-17(4)23(28(7)26(32)18(5)14-16(2)3)21(33-8)15-22(30)29-13-11-12-20(29)24(34-9)19(6)25(27)31/h16-21,23-24H,10-15H2,1-9H3,(H2,27,31).
What are the key properties of N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide?
N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide has a molecular weight of 483.69 g/mol, XLogP of 3.07, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-amino-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,2,4-trimethylpentanamide is sourced from PubChem (CID 123277034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).