N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide

C20H29NO — CID 42697539

IUPACN-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29NO/c1-3-10-20(22)21(19-13-8-5-9-14-19)16-17(2)15-18-11-6-4-7-12-18/h4,6-7,11-12,15,19H,3,5,8-10,13-14,16H2,1-2H3/b17-15+
InChIKeySCIMOUJXZYEHJK-BMRADRMJSA-N
MW299.46 g/mol
LogP5.05
Rot. Bonds6

About N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide

N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide (PubChem CID 42697539) has the molecular formula C20H29NO and a molecular weight of 299.46 g/mol. Its IUPAC name is N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
PubChem CID42697539
Molecular FormulaC20H29NO
Molecular Weight299.46 g/mol
Exact Mass299.22
IUPAC NameN-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
SMILESCCCC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29NO/c1-3-10-20(22)21(19-13-8-5-9-14-19)16-17(2)15-18-11-6-4-7-12-18/h4,6-7,11-12,15,19H,3,5,8-10,13-14,16H2,1-2H3/b17-15+
InChIKeySCIMOUJXZYEHJK-BMRADRMJSA-N
XLogP5.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697658
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697663
1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42697656
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-benzyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]cyclopentanecarboxamide
CID 42697729
N-[(2E)-2-benzylideneheptyl]-3-bromo-N-cyclohexylbenzamide
CID 42702950
3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42697749
N-(2-methyl-3-phenylprop-2-enyl)-N-propan-2-ylpropanamide
CID 76600128
N-[2-(1H-indol-3-yl)ethyl]-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697546
benzyl 4-[(E)-3-[cyclohexyl-(2-ethoxy-2-oxoethyl)amino]-2-methyl-3-oxoprop-1-enyl]benzoate
CID 10766526
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The IUPAC name of N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide (CID 42697539) is N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide.
What is the SMILES notation for N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The canonical SMILES for N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide is CCCC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
The InChIKey is SCIMOUJXZYEHJK-BMRADRMJSA-N. The full InChI is InChI=1S/C20H29NO/c1-3-10-20(22)21(19-13-8-5-9-14-19)16-17(2)15-18-11-6-4-7-12-18/h4,6-7,11-12,15,19H,3,5,8-10,13-14,16H2,1-2H3/b17-15+.
What are the key properties of N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide?
N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide has a molecular weight of 299.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide is sourced from PubChem (CID 42697539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).