N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide

C19H32N4O4 — CID 23797622

IUPACN-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(C)=O)C1
InChIInChI=1S/C19H32N4O4/c1-14(24)23-13-16(22(10-11-27-2)18(25)15-4-5-15)12-17(23)19(26)21-8-3-6-20-7-9-21/h15-17,20H,3-13H2,1-2H3
InChIKeyQONPMXUSADTRKJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.32
Rot. Bonds6

About N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide

N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 23797622) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID23797622
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC NameN-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(C)=O)C1
InChIInChI=1S/C19H32N4O4/c1-14(24)23-13-16(22(10-11-27-2)18(25)15-4-5-15)12-17(23)19(26)21-8-3-6-20-7-9-21/h15-17,20H,3-13H2,1-2H3
InChIKeyQONPMXUSADTRKJ-UHFFFAOYSA-N
XLogP-0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5aS,8aR)-6-(cyclopropylmethyl)-2-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-oxopropyl]-1-methyl-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45360801
(2S)-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 75529693
3-[(2S,5aS,8aR)-6-(cyclopropylmethyl)-1-methyl-5-oxo-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-2-yl]-N,N-diethylpropanamide
CID 45361109
5-[4-(2-Morpholin-4-yl-2-oxoethyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 19900365
5-[4-(2-Morpholin-4-ylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 19900367
Me-DL-Pro-Gly-DL-Ser(iBu)-Gly-NHEt
CID 168911412
N-[4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 3854766
N-[(3S,7S,10R,12S)-4-(cyclopropanecarbonyl)-2,9-dioxo-1,4,8-triazatricyclo[8.3.0.03,7]tridecan-12-yl]-2-methoxyacetamide
CID 11865910
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[2-methylpropanoyl(oxolan-2-ylmethyl)amino]pyrrolidine-2-carboxamide
CID 23735071
N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(2-methylpropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23736516
N-(2-aminoethyl)-1-(cyclopropanecarbonyl)-4-[cyclopropanecarbonyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23737210
N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 23739203

Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 23797622) is N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide is COCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(C)=O)C1.
What is the InChIKey of N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The InChIKey is QONPMXUSADTRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-14(24)23-13-16(22(10-11-27-2)18(25)15-4-5-15)12-17(23)19(26)21-8-3-6-20-7-9-21/h15-17,20H,3-13H2,1-2H3.
What are the key properties of N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide has a molecular weight of 380.49 g/mol, XLogP of -0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 23797622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).