N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide

C18H28N2O — CID 43713892

IUPACN-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide
SMILESCCCC1CCC(Nc2ccc(CC(=O)NC)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-4-14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)13-18(21)19-2/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,19,21)
InChIKeyNNFGIPLDSMXCRS-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.75
Rot. Bonds6

About N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide

N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide (PubChem CID 43713892) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide
PubChem CID43713892
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide
SMILESCCCC1CCC(Nc2ccc(CC(=O)NC)cc2)CC1
InChIInChI=1S/C18H28N2O/c1-3-4-14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)13-18(21)19-2/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,19,21)
InChIKeyNNFGIPLDSMXCRS-UHFFFAOYSA-N
XLogP3.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
CID 63335569
N-methyl-2-[4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561305
2-fluoro-4-[(4-propylcyclohexyl)amino]benzoic acid
CID 115485237
N-methyl-2-[4-(thian-3-ylamino)phenyl]acetamide
CID 62873267
2-[4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenyl]-N-methylacetamide
CID 115871526
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
2-[4-[(4-aminocyclohexyl)amino]phenyl]-N,N-dimethylacetamide
CID 79731243
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
N-(4-methylcyclohexyl)-4-[[4-[(4-methylcyclohexyl)amino]phenyl]methyl]aniline
CID 135199664
4-[[(4-propylcyclohexyl)amino]methyl]benzoic acid
CID 62215760
4-methyl-N-(4-propylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63455741

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide (CID 43713892) is N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide is CCCC1CCC(Nc2ccc(CC(=O)NC)cc2)CC1.
What is the InChIKey of N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is NNFGIPLDSMXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-14-5-9-16(10-6-14)20-17-11-7-15(8-12-17)13-18(21)19-2/h7-8,11-12,14,16,20H,3-6,9-10,13H2,1-2H3,(H,19,21).
What are the key properties of N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide?
N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(4-propylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 43713892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).