3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide

C18H28N2O — CID 80548256

IUPAC3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(N(C)C(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-13-9-11-16(12-10-13)20(3)18(21)14(2)17(19)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3
InChIKeySFTRZNQCKYXLBR-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.36
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide

3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide (PubChem CID 80548256) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
PubChem CID80548256
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(N(C)C(=O)C(C)C(N)c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-13-9-11-16(12-10-13)20(3)18(21)14(2)17(19)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3
InChIKeySFTRZNQCKYXLBR-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
CID 124741664
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
CID 122080526
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 119787279
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
CID 119893685
2-N-methyl-2-N-(4-methylcyclohexyl)-1-phenylpropane-1,2-diamine
CID 61436717
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
2-amino-N-cyclopentyl-N-methyl-2-phenylacetamide
CID 43267220
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 119779820
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide (CID 80548256) is 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide is CC1CCC(N(C)C(=O)C(C)C(N)c2ccccc2)CC1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide?
The InChIKey is SFTRZNQCKYXLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13-9-11-16(12-10-13)20(3)18(21)14(2)17(19)15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12,19H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide?
3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(4-methylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 80548256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).