1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide

C20H32N4O3 — CID 23960148

IUPAC1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H32N4O3/c1-12(25)23-11-17(24(16-8-9-16)20(27)13-2-3-13)10-18(23)19(26)22-15-6-4-14(21)5-7-15/h13-18H,2-11,21H2,1H3,(H,22,26)
InChIKeyVRMMZWSXIOETRD-UHFFFAOYSA-N
MW376.50 g/mol
LogP0.76
Rot. Bonds5

About 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide

1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide (PubChem CID 23960148) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
PubChem CID23960148
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC Name1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H32N4O3/c1-12(25)23-11-17(24(16-8-9-16)20(27)13-2-3-13)10-18(23)19(26)22-15-6-4-14(21)5-7-15/h13-18H,2-11,21H2,1H3,(H,22,26)
InChIKeyVRMMZWSXIOETRD-UHFFFAOYSA-N
XLogP0.76
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 23852063
(2R)-N-(4-aminocyclohexyl)-4-[cyclohexylmethyl(cyclopropyl)amino]-1-(cyclopropanecarbonyl)piperidine-2-carboxamide
CID 23856406
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[benzyl(2-methylpropyl)amino]piperidine-2-carboxamide
CID 23795098
4-amino-N-cyclopropylcyclohexane-1-carboxamide;hydrochloride
CID 66868284
N-(4-aminocyclohexyl)-4-[benzyl(thiophen-2-ylmethyl)amino]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 23793310
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]piperidine-2-carboxamide
CID 23933944
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]piperidine-2-carboxamide
CID 23734948
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(2-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]pyrrolidine-2-carboxamide
CID 23961817
N-(4-aminocyclohexyl)-4-[2-methoxyethyl(thiophene-2-carbonyl)amino]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 23876008
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-4-[(4-nitrophenyl)methyl-(2-phenylethyl)amino]pyrrolidine-2-carboxamide
CID 23988309
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2R)-1-acetyl-N-(4-aminocyclohexyl)-4-[(4-methylphenyl)methyl-(2-morpholin-4-ylethyl)amino]piperidine-2-carboxamide
CID 23795951

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide (CID 23960148) is 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide is CC(=O)N1CC(N(C(=O)C2CC2)C2CC2)CC1C(=O)NC1CCC(N)CC1.
What is the InChIKey of 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
The InChIKey is VRMMZWSXIOETRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-12(25)23-11-17(24(16-8-9-16)20(27)13-2-3-13)10-18(23)19(26)22-15-6-4-14(21)5-7-15/h13-18H,2-11,21H2,1H3,(H,22,26).
What are the key properties of 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide?
1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-aminocyclohexyl)-4-[cyclopropanecarbonyl(cyclopropyl)amino]pyrrolidine-2-carboxamide is sourced from PubChem (CID 23960148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).