N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide

C17H26N2O2 — CID 54837999

IUPACN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(15-6-4-3-5-7-15)17(20)13-18-12-14-8-10-16(21-2)11-9-14/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyQFKDWXJKFZNRIV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.58
Rot. Bonds6

About N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide

N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide (PubChem CID 54837999) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
PubChem CID54837999
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
SMILESCOc1ccc(CNCC(=O)N(C)C2CCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-19(15-6-4-3-5-7-15)17(20)13-18-12-14-8-10-16(21-2)11-9-14/h8-11,15,18H,3-7,12-13H2,1-2H3
InChIKeyQFKDWXJKFZNRIV-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-2-cyano-N-cyclohexyl-3-[(4-methoxyphenyl)methylamino]-N-methylprop-2-enamide
CID 108830273
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 61488726
N-[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 71449031
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylamino]ethanone
CID 28575460
N-cyclopropyl-2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81370950
N-cyclohexyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 17414302
[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8816667
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
N-(2-chloroethyl)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 63391425
(3S)-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40919122
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide (CID 54837999) is N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide is COc1ccc(CNCC(=O)N(C)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide?
The InChIKey is QFKDWXJKFZNRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19(15-6-4-3-5-7-15)17(20)13-18-12-14-8-10-16(21-2)11-9-14/h8-11,15,18H,3-7,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide?
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide is sourced from PubChem (CID 54837999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).