2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

C20H32N2O2 — CID 55698129

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-20(2,3)17-7-5-6-8-18(17)21-14-19(23)22-13-15-9-11-16(24-4)12-10-15/h9-12,17-18,21H,5-8,13-14H2,1-4H3,(H,22,23)
InChIKeyWJLBKKSJLWGKBI-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.51
Rot. Bonds6

About 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 55698129) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID55698129
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNC2CCCCC2C(C)(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-20(2,3)17-7-5-6-8-18(17)21-14-19(23)22-13-15-9-11-16(24-4)12-10-15/h9-12,17-18,21H,5-8,13-14H2,1-4H3,(H,22,23)
InChIKeyWJLBKKSJLWGKBI-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570123
N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
CID 56570257
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9265502
methyl N-[2-[[(1R,2S)-2-tert-butylcyclohexyl]amino]acetyl]carbamate
CID 95334331
trans-(1R,2R)-1-N,2-N-bis[(4-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 11314223
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111869260
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 55698129) is 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNC2CCCCC2C(C)(C)C)cc1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is WJLBKKSJLWGKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-20(2,3)17-7-5-6-8-18(17)21-14-19(23)22-13-15-9-11-16(24-4)12-10-15/h9-12,17-18,21H,5-8,13-14H2,1-4H3,(H,22,23).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55698129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).