N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide

C18H21NO2 — CID 28979661

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
SMILESCC[C@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-17(14-9-11-15(21-3)12-10-14)19-18(20)16-8-6-5-7-13(16)2/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyKERMCMAXEOGTDE-KRWDZBQOSA-N
MW283.37 g/mol
LogP3.88
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide (PubChem CID 28979661) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
PubChem CID28979661
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
SMILESCC[C@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO2/c1-4-17(14-9-11-15(21-3)12-10-14)19-18(20)16-8-6-5-7-13(16)2/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyKERMCMAXEOGTDE-KRWDZBQOSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
CID 18090462
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 134030712
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methoxyphenyl)propyl]-2-prop-2-enylsulfanylbenzamide
CID 132652302
N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-nitrobenzamide
CID 43886215
N-[1-(4-methoxyphenyl)propyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 55371853

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide (CID 28979661) is N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide is CC[C@H](NC(=O)c1ccccc1C)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide?
The InChIKey is KERMCMAXEOGTDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-17(14-9-11-15(21-3)12-10-14)19-18(20)16-8-6-5-7-13(16)2/h5-12,17H,4H2,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide is sourced from PubChem (CID 28979661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).