N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide

C17H26N2O — CID 43692073

IUPACN-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C17H26N2O/c1-13-7-6-9-16(11-13)18-17-10-5-4-8-15(17)12-19(3)14(2)20/h4-5,8,10,13,16,18H,6-7,9,11-12H2,1-3H3
InChIKeyFKHIQZVFOSNONI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.66
Rot. Bonds4

About N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide

N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide (PubChem CID 43692073) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
PubChem CID43692073
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NC1CCCC(C)C1
InChIInChI=1S/C17H26N2O/c1-13-7-6-9-16(11-13)18-17-10-5-4-8-15(17)12-19(3)14(2)20/h4-5,8,10,13,16,18H,6-7,9,11-12H2,1-3H3
InChIKeyFKHIQZVFOSNONI-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
N-[[2-[(4-hydroxycyclohexyl)amino]phenyl]methyl]-N-methylacetamide
CID 106593826
N-methyl-N-[[2-[(1-methylpiperidin-4-yl)amino]phenyl]methyl]acetamide
CID 43692067
2-[(dimethylamino)methyl]-N-(3-methylcyclobutyl)aniline
CID 104859978
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
2-[(dimethylamino)methyl]-N-(3-methoxycyclohexyl)aniline
CID 106871933
2-[2-[(3-methylcyclohexyl)amino]phenyl]sulfanylacetamide
CID 43722550
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide (CID 43692073) is N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NC1CCCC(C)C1.
What is the InChIKey of N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide?
The InChIKey is FKHIQZVFOSNONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-7-6-9-16(11-13)18-17-10-5-4-8-15(17)12-19(3)14(2)20/h4-5,8,10,13,16,18H,6-7,9,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide?
N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide has a molecular weight of 274.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-[(3-methylcyclohexyl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 43692073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).