3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide

C17H26N2O — CID 119295111

IUPAC3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
SMILESCc1cccc(C2(CNC(=O)CCN)CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)17(9-3-2-4-10-17)13-19-16(20)8-11-18/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20)
InChIKeyLGRJGKAKAJGWEC-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide

3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide (PubChem CID 119295111) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
PubChem CID119295111
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
SMILESCc1cccc(C2(CNC(=O)CCN)CCCCC2)c1
InChIInChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)17(9-3-2-4-10-17)13-19-16(20)8-11-18/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20)
InChIKeyLGRJGKAKAJGWEC-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
N-[2-[[1-(3-methylphenyl)cyclohexyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 47058890
(2S,5R)-5-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]oxolane-2-carboxamide
CID 120788388
2-(aminomethyl)-N-[[1-(3-methylphenyl)cyclohexyl]methyl]-1,3-thiazole-4-carboxamide
CID 119733910
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide (CID 119295111) is 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide is Cc1cccc(C2(CNC(=O)CCN)CCCCC2)c1.
What is the InChIKey of 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide?
The InChIKey is LGRJGKAKAJGWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-5-7-15(12-14)17(9-3-2-4-10-17)13-19-16(20)8-11-18/h5-7,12H,2-4,8-11,13,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide?
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 119295111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).