4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide

C26H27NO2 — CID 101155758

IUPAC4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC=CC[C@H](c1ccccc1)N(C(=O)c1ccc(OC)cc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-4-11-25(22-14-9-6-10-15-22)27(20(2)21-12-7-5-8-13-21)26(28)23-16-18-24(29-3)19-17-23/h4-10,12-20,25H,1,11H2,2-3H3/t20-,25+/m0/s1
InChIKeyHBASORZIDDLQNF-NBGIEHNGSA-N
MW385.51 g/mol
LogP6.22
Rot. Bonds8

About 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide

4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 101155758) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID101155758
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide
SMILESC=CC[C@H](c1ccccc1)N(C(=O)c1ccc(OC)cc1)[C@@H](C)c1ccccc1
InChIInChI=1S/C26H27NO2/c1-4-11-25(22-14-9-6-10-15-22)27(20(2)21-12-7-5-8-13-21)26(28)23-16-18-24(29-3)19-17-23/h4-10,12-20,25H,1,11H2,2-3H3/t20-,25+/m0/s1
InChIKeyHBASORZIDDLQNF-NBGIEHNGSA-N
XLogP6.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-[(1R)-1-phenylbut-3-enyl]carbamate
CID 101155768
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
(2R)-2-(4-methoxyphenyl)pent-4-enoic acid
CID 124577541
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
2-ethyl-1-(4-methoxyphenyl)pent-4-en-1-one
CID 10751309
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide (CID 101155758) is 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide is C=CC[C@H](c1ccccc1)N(C(=O)c1ccc(OC)cc1)[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is HBASORZIDDLQNF-NBGIEHNGSA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-11-25(22-14-9-6-10-15-22)27(20(2)21-12-7-5-8-13-21)26(28)23-16-18-24(29-3)19-17-23/h4-10,12-20,25H,1,11H2,2-3H3/t20-,25+/m0/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide?
4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 385.51 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 101155758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).