4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide

C18H28N2O — CID 63324123

IUPAC4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
SMILESCN(CC1CCCCC1)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-20(14-15-8-4-2-5-9-15)18(21)13-12-17(19)16-10-6-3-7-11-16/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14,19H2,1H3
InChIKeyDMXQUVIPMYAGAZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.51
Rot. Bonds6

About 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide

4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide (PubChem CID 63324123) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
PubChem CID63324123
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
SMILESCN(CC1CCCCC1)C(=O)CCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-20(14-15-8-4-2-5-9-15)18(21)13-12-17(19)16-10-6-3-7-11-16/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14,19H2,1H3
InChIKeyDMXQUVIPMYAGAZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
4-[cyclohexylmethyl(methyl)amino]-4-oxobutanoic acid
CID 60949608
N'-(cyclopentylmethyl)-N'-methyl-1-phenylbutane-1,4-diamine
CID 63656962
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
CID 119950307
4-[cyclopentylmethyl(methyl)amino]-4-oxobutanoic acid
CID 63632290
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
4-amino-N-methyl-N-(oxolan-3-yl)-4-phenylbutanamide
CID 81489574
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
2-anilino-N-(cyclohexylmethyl)-N-methylacetamide;hydrochloride
CID 119704430

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide (CID 63324123) is 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide is CN(CC1CCCCC1)C(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide?
The InChIKey is DMXQUVIPMYAGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-20(14-15-8-4-2-5-9-15)18(21)13-12-17(19)16-10-6-3-7-11-16/h3,6-7,10-11,15,17H,2,4-5,8-9,12-14,19H2,1H3.
What are the key properties of 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide?
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide has a molecular weight of 288.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide is sourced from PubChem (CID 63324123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).