N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide

C20H34N2O2 — CID 125471839

IUPACN-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCC(CNC(=O)C2CCCC2)CC1)C1CCCC1
InChIInChI=1S/C20H34N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h15-18H,1-14H2,(H,21,23)(H,22,24)
InChIKeyCHBIOIBRGBFWFE-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.41
Rot. Bonds6

About N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide

N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide (PubChem CID 125471839) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
PubChem CID125471839
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
SMILESO=C(NCC1CCC(CNC(=O)C2CCCC2)CC1)C1CCCC1
InChIInChI=1S/C20H34N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h15-18H,1-14H2,(H,21,23)(H,22,24)
InChIKeyCHBIOIBRGBFWFE-UHFFFAOYSA-N
XLogP3.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-bromocyclobutyl)methyl]cyclobutanecarboxamide
CID 165454239
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-[[1-(3-hydroxypropanoyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131921966
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N-[(1-cyanoazetidin-3-yl)methyl]cyclohexanecarboxamide
CID 10198366
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
3-(cyclobutylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789913

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide (CID 125471839) is N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide is O=C(NCC1CCC(CNC(=O)C2CCCC2)CC1)C1CCCC1.
What is the InChIKey of N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide?
The InChIKey is CHBIOIBRGBFWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c23-19(17-5-1-2-6-17)21-13-15-9-11-16(12-10-15)14-22-20(24)18-7-3-4-8-18/h15-18H,1-14H2,(H,21,23)(H,22,24).
What are the key properties of N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide?
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide has a molecular weight of 334.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 125471839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).