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

C21H34N4O4 — CID 23739203

IUPACN-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C21H34N4O4/c1-29-12-11-24(19(26)15-3-4-15)17-13-18(25(14-17)20(27)16-5-6-16)21(28)23-9-2-7-22-8-10-23/h15-18,22H,2-14H2,1H3
InChIKeyGGKOVLKKULYATF-UHFFFAOYSA-N
MW406.53 g/mol
LogP0.07
Rot. Bonds7

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

N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 23739203) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID23739203
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC NameN-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(=O)C2CC2)C1
InChIInChI=1S/C21H34N4O4/c1-29-12-11-24(19(26)15-3-4-15)17-13-18(25(14-17)20(27)16-5-6-16)21(28)23-9-2-7-22-8-10-23/h15-18,22H,2-14H2,1H3
InChIKeyGGKOVLKKULYATF-UHFFFAOYSA-N
XLogP0.07
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 23733554
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-cyclopropyl-3,3-dimethylbutanamide
CID 23740569
1-acetyl-N-(2-aminoethyl)-4-[2-methylpropanoyl(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23763310
N-(4-aminocyclohexyl)-4-[cyclopropyl(2-methylpropanoyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23765303
N-(2-aminoethyl)-1-(2-methoxyacetyl)-4-[2-methylpropanoyl(2-methylpropyl)amino]pyrrolidine-2-carboxamide
CID 23768450
N-[1-(cyclopropanecarbonyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 23790413
1-acetyl-N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
CID 23795586
N-[1-acetyl-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide
CID 23797622
1-[4-[Cyclohexylmethyl(2-methoxyethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 23799158
N-cyclopropyl-N-[1-(2-methoxyacetyl)-5-(piperazine-1-carbonyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 23824730

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 23739203) is N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide is COCCN(C(=O)C1CC1)C1CC(C(=O)N2CCCNCC2)N(C(=O)C2CC2)C1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The InChIKey is GGKOVLKKULYATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-29-12-11-24(19(26)15-3-4-15)17-13-18(25(14-17)20(27)16-5-6-16)21(28)23-9-2-7-22-8-10-23/h15-18,22H,2-14H2,1H3.
What are the key properties of N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide has a molecular weight of 406.53 g/mol, XLogP of 0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-5-(1,4-diazepane-1-carbonyl)pyrrolidin-3-yl]-N-(2-methoxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 23739203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).