N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide

C18H28N2O — CID 66419635

IUPACN-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
SMILESCCC(NCc1ccccc1NC(C)=O)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-3-17(15-9-5-4-6-10-15)19-13-16-11-7-8-12-18(16)20-14(2)21/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,20,21)
InChIKeyLUHFGMNIASLIJY-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.09
Rot. Bonds6

About N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide

N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide (PubChem CID 66419635) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
PubChem CID66419635
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide
SMILESCCC(NCc1ccccc1NC(C)=O)C1CCCCC1
InChIInChI=1S/C18H28N2O/c1-3-17(15-9-5-4-6-10-15)19-13-16-11-7-8-12-18(16)20-14(2)21/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,20,21)
InChIKeyLUHFGMNIASLIJY-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[[(1R)-1-cyclopentylethyl]amino]methyl]phenyl]acetamide
CID 81394935
methyl 2-[(1-cyclohexylpropylamino)methyl]benzoate
CID 62406452
N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
N-[2-[(1-cyclopropylbutan-2-ylamino)methyl]phenyl]acetamide
CID 66418081
N-[2-[(1-cyclopropylpropan-2-ylamino)methyl]phenyl]acetamide
CID 66418079
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
N-(2-acetamidophenyl)-2,2-dicyclohexylacetamide
CID 11175727
3-[(1-cyclohexylpropylamino)methyl]furan-2-carboxylic acid
CID 103249972
N-[2-[(1-methoxybutan-2-ylamino)methyl]phenyl]acetamide
CID 66419443
1-cyclohexyl-N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 62407334
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821
1-cyclohexyl-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 104791765

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide (CID 66419635) is N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide is CCC(NCc1ccccc1NC(C)=O)C1CCCCC1.
What is the InChIKey of N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide?
The InChIKey is LUHFGMNIASLIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-17(15-9-5-4-6-10-15)19-13-16-11-7-8-12-18(16)20-14(2)21/h7-8,11-12,15,17,19H,3-6,9-10,13H2,1-2H3,(H,20,21).
What are the key properties of N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide?
N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-cyclohexylpropylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66419635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).