4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide

C22H21NO2 — CID 162689980

IUPAC4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17(18-9-5-3-6-10-18)23(20-11-7-4-8-12-20)22(24)19-13-15-21(25-2)16-14-19/h3-17H,1-2H3/t17-/m0/s1
InChIKeyOBECHNKLZVCZMK-KRWDZBQOSA-N
MW331.42 g/mol
LogP5.10
Rot. Bonds5

About 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide

4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 162689980) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID162689980
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2/c1-17(18-9-5-3-6-10-18)23(20-11-7-4-8-12-20)22(24)19-13-15-21(25-2)16-14-19/h3-17H,1-2H3/t17-/m0/s1
InChIKeyOBECHNKLZVCZMK-KRWDZBQOSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N-[(1R)-1-phenylethyl]benzamide
CID 162689999
1-N,4-N-bis[(1R)-1-phenylethyl]-1-N,4-N-bis[4-(2-phenylethynyl)phenyl]benzene-1,4-dicarboxamide
CID 101376470
6-methoxy-N-phenyl-N-propan-2-ylnaphthalene-2-carboxamide;hydrate
CID 110169848
N-[(2R)-but-3-en-2-yl]-N-(4-methoxyphenyl)benzamide
CID 12035937
N-[(1R)-1-phenylethyl]-4-(4-pyridin-4-ylphenyl)-N-[4-(4-pyridin-4-ylphenyl)phenyl]benzamide
CID 101475849
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
CID 14644560
4-methoxy-N-[(1R)-1-phenylbut-3-enyl]-N-[(1S)-1-phenylethyl]benzamide
CID 101155758
4-methoxy-N-[4-oxo-4-(N-propan-2-ylanilino)butyl]benzamide
CID 55920471
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
N-[(4-methoxyphenyl)methyl]-N-[4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 92987108
2-benzoyl-1-(4-methoxyphenyl)-3,4-diphenylbutane-1,4-dione
CID 122221336

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide (CID 162689980) is 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide is COc1ccc(C(=O)N(c2ccccc2)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is OBECHNKLZVCZMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17(18-9-5-3-6-10-18)23(20-11-7-4-8-12-20)22(24)19-13-15-21(25-2)16-14-19/h3-17H,1-2H3/t17-/m0/s1.
What are the key properties of 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide?
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 162689980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).