4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide

C24H42N2O2 — CID 91255699

IUPAC4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(C(=O)NC(C)C3CCC(C)C3)CC2)C1
InChIInChI=1S/C24H42N2O2/c1-4-18-9-13-22(15-18)26-24(28)20-7-5-6-19(11-12-20)23(27)25-17(3)21-10-8-16(2)14-21/h16-22H,4-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJCCMSDDGPGSWJY-UHFFFAOYSA-N
MW390.61 g/mol
LogP4.82
Rot. Bonds6

About 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide

4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide (PubChem CID 91255699) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide
PubChem CID91255699
Molecular FormulaC24H42N2O2
Molecular Weight390.61 g/mol
Exact Mass390.32
IUPAC Name4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide
SMILESCCC1CCC(NC(=O)C2CCCC(C(=O)NC(C)C3CCC(C)C3)CC2)C1
InChIInChI=1S/C24H42N2O2/c1-4-18-9-13-22(15-18)26-24(28)20-7-5-6-19(11-12-20)23(27)25-17(3)21-10-8-16(2)14-21/h16-22H,4-15H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyJCCMSDDGPGSWJY-UHFFFAOYSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylcyclohexyl)-4-propan-2-yloxycyclohexane-1-carboxamide
CID 177134529
2-amino-N-(3-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65455115
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]cyclohexane-1-carboxamide
CID 81393218
(2S,3S)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-3-methylpentanoic acid
CID 119194354
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
CID 178190623
N-(3-ethylcyclopentyl)-3-methylcyclohexan-1-amine
CID 64501673
3-(aminomethyl)-N-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 55115083
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclohexanecarboxamide
CID 165448057
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
3-amino-N-(1-cyclopentylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119782445
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 64774419

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide (CID 91255699) is 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide is CCC1CCC(NC(=O)C2CCCC(C(=O)NC(C)C3CCC(C)C3)CC2)C1.
What is the InChIKey of 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide?
The InChIKey is JCCMSDDGPGSWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-4-18-9-13-22(15-18)26-24(28)20-7-5-6-19(11-12-20)23(27)25-17(3)21-10-8-16(2)14-21/h16-22H,4-15H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide?
4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide has a molecular weight of 390.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethylcyclopentyl)-1-N-[1-(3-methylcyclopentyl)ethyl]cycloheptane-1,4-dicarboxamide is sourced from PubChem (CID 91255699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).