N,N-dicyclohexyl-3-methyl-3-phenylbutanamide

C23H35NO — CID 144994558

IUPACN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3
InChIKeyHNZOEYGOWFZBIZ-UHFFFAOYSA-N
MW341.54 g/mol
LogP5.85
Rot. Bonds5

About N,N-dicyclohexyl-3-methyl-3-phenylbutanamide

N,N-dicyclohexyl-3-methyl-3-phenylbutanamide (PubChem CID 144994558) has the molecular formula C23H35NO and a molecular weight of 341.54 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
PubChem CID144994558
Molecular FormulaC23H35NO
Molecular Weight341.54 g/mol
Exact Mass341.27
IUPAC NameN,N-dicyclohexyl-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1
InChIInChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3
InChIKeyHNZOEYGOWFZBIZ-UHFFFAOYSA-N
XLogP5.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide
CID 119825434
3-methyl-3-phenyl-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825433
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
3-methyl-3-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide
CID 119532226
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
CID 162174733
1-(3-methyl-3-phenylbutanoyl)piperidine-2-carboxylic acid
CID 119176322
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
CID 119591290
N,N-dicyclohexyl-2-(2-methoxyphenoxy)acetamide
CID 717645
2-[(2-amino-2-phenylpropanoyl)-cyclopentylamino]acetic acid
CID 62488951

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
The IUPAC name of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide (CID 144994558) is N,N-dicyclohexyl-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
The canonical SMILES for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1.
What is the InChIKey of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
The InChIKey is HNZOEYGOWFZBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NO/c1-23(2,19-12-6-3-7-13-19)18-22(25)24(20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3,6-7,12-13,20-21H,4-5,8-11,14-18H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-3-methyl-3-phenylbutanamide?
N,N-dicyclohexyl-3-methyl-3-phenylbutanamide has a molecular weight of 341.54 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 144994558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).