N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide

C24H35NO — CID 42701749

IUPACN-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide
SMILESC=C(C)C1CC=C(CN(CC(C)C)C(=O)C(CC)c2ccccc2)CC1
InChIInChI=1S/C24H35NO/c1-6-23(22-10-8-7-9-11-22)24(26)25(16-18(2)3)17-20-12-14-21(15-13-20)19(4)5/h7-12,18,21,23H,4,6,13-17H2,1-3,5H3
InChIKeyBUJVFSIUGMLQQN-UHFFFAOYSA-N
MW353.55 g/mol
LogP5.97
Rot. Bonds8

About N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide

N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide (PubChem CID 42701749) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide
PubChem CID42701749
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC NameN-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide
SMILESC=C(C)C1CC=C(CN(CC(C)C)C(=O)C(CC)c2ccccc2)CC1
InChIInChI=1S/C24H35NO/c1-6-23(22-10-8-7-9-11-22)24(26)25(16-18(2)3)17-20-12-14-21(15-13-20)19(4)5/h7-12,18,21,23H,4,6,13-17H2,1-3,5H3
InChIKeyBUJVFSIUGMLQQN-UHFFFAOYSA-N
XLogP5.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
(E)-N-(2-methylpropyl)-3-(4-nitrophenyl)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-enamide
CID 42701751
[4-[[2-methylpropyl(2-phenylbutanoyl)amino]methyl]phenyl] ethanesulfonate
CID 3368033
(4-prop-1-en-2-ylcyclohexen-1-yl) 2-chloro-2-phenylacetate
CID 102486032
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl nitrite
CID 162522511
2-[benzyl(2-phenylbutanoyl)amino]acetic acid
CID 120606600
2-[(2-amino-2-oxoethyl)-(2-phenylbutanoyl)amino]acetic acid
CID 107434077
(4-prop-1-en-2-ylcyclohexen-1-yl)methanesulfonic acid
CID 118596934
1-ethyl-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazine
CID 782854
N-[3-[[cyclopropylmethyl-[(2S)-2-phenylbutanoyl]amino]methyl]-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 93129464
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide?
The IUPAC name of N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide (CID 42701749) is N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide?
The canonical SMILES for N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide is C=C(C)C1CC=C(CN(CC(C)C)C(=O)C(CC)c2ccccc2)CC1.
What is the InChIKey of N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide?
The InChIKey is BUJVFSIUGMLQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO/c1-6-23(22-10-8-7-9-11-22)24(26)25(16-18(2)3)17-20-12-14-21(15-13-20)19(4)5/h7-12,18,21,23H,4,6,13-17H2,1-3,5H3.
What are the key properties of N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide?
N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide has a molecular weight of 353.55 g/mol, XLogP of 5.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]butanamide is sourced from PubChem (CID 42701749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).