N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide

C18H28N2O — CID 65084031

IUPACN-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
SMILESCCC1CCCC(Nc2ccc(NC(C)=O)c(C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-4-15-6-5-7-16(9-8-15)20-17-10-11-18(13(2)12-17)19-14(3)21/h10-12,15-16,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyJDJYLZGEXFGXGJ-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.72
Rot. Bonds4

About N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide

N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide (PubChem CID 65084031) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
PubChem CID65084031
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide
SMILESCCC1CCCC(Nc2ccc(NC(C)=O)c(C)c2)CC1
InChIInChI=1S/C18H28N2O/c1-4-15-6-5-7-16(9-8-15)20-17-10-11-18(13(2)12-17)19-14(3)21/h10-12,15-16,20H,4-9H2,1-3H3,(H,19,21)
InChIKeyJDJYLZGEXFGXGJ-UHFFFAOYSA-N
XLogP4.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-4-[(4-methylcyclohexyl)amino]phenyl]acetamide
CID 43672817
4-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955577
5-[(4-ethylcycloheptyl)amino]-2-fluorobenzamide
CID 65084046
4-[(4-ethylcycloheptyl)amino]-2,5-dimethylphenol
CID 106953853
N-[2-methyl-4-[(3-propan-2-ylcyclobutyl)amino]phenyl]acetamide
CID 103561080
N-[2-methyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]phenyl]acetamide
CID 43672871
N-ethyl-4-[(4-ethylcycloheptyl)amino]benzamide
CID 65084455
4-ethyl-N-(2-methyl-4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65083302
4-ethyl-N-phenylcycloheptan-1-amine
CID 65082236
N-(3-bromo-4-methylphenyl)-4-propylcycloheptan-1-amine
CID 65091284
3-bromo-N-(4-ethylcyclohexyl)-4-methylaniline
CID 63462471
4-ethyl-N-(4-ethyl-3-nitrophenyl)cycloheptan-1-amine
CID 65083573

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide (CID 65084031) is N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide is CCC1CCCC(Nc2ccc(NC(C)=O)c(C)c2)CC1.
What is the InChIKey of N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide?
The InChIKey is JDJYLZGEXFGXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-15-6-5-7-16(9-8-15)20-17-10-11-18(13(2)12-17)19-14(3)21/h10-12,15-16,20H,4-9H2,1-3H3,(H,19,21).
What are the key properties of N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide?
N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylcycloheptyl)amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 65084031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).