4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide

C22H38N2O2 — CID 167930823

IUPAC4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC2CCC(CNC(=O)[C@@H]3C[C@H]3C)CC2)CC1
InChIInChI=1S/C22H38N2O2/c1-3-16-8-10-19(11-9-16)21(25)23-13-17-4-6-18(7-5-17)14-24-22(26)20-12-15(20)2/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,19?,20-/m1/s1
InChIKeyJHKWUWGFIOZFBZ-AOEFEPCLSA-N
MW362.56 g/mol
LogP3.90
Rot. Bonds7

About 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide

4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide (PubChem CID 167930823) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
PubChem CID167930823
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC2CCC(CNC(=O)[C@@H]3C[C@H]3C)CC2)CC1
InChIInChI=1S/C22H38N2O2/c1-3-16-8-10-19(11-9-16)21(25)23-13-17-4-6-18(7-5-17)14-24-22(26)20-12-15(20)2/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,19?,20-/m1/s1
InChIKeyJHKWUWGFIOZFBZ-AOEFEPCLSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
N-[(3-hydroxycyclopentyl)methyl]cyclopropanecarboxamide
CID 103280320
N-[(3-aminocyclobutyl)methyl]cyclopropanecarboxamide
CID 66004927
2-(cyclopropylmethylcarbamoyl)cyclopropane-1-carboxylate
CID 18434269
methyl N-[(4-ethylcyclohexanecarbonyl)amino]carbamate
CID 3953130

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide (CID 167930823) is 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide is CCC1CCC(C(=O)NCC2CCC(CNC(=O)[C@@H]3C[C@H]3C)CC2)CC1.
What is the InChIKey of 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is JHKWUWGFIOZFBZ-AOEFEPCLSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-3-16-8-10-19(11-9-16)21(25)23-13-17-4-6-18(7-5-17)14-24-22(26)20-12-15(20)2/h15-20H,3-14H2,1-2H3,(H,23,25)(H,24,26)/t15-,16?,17?,18?,19?,20-/m1/s1.
What are the key properties of 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide?
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 362.56 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167930823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).