methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate

C19H21NO3 — CID 9297354

IUPACmethyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
SMILESCC[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3/c1-4-17(14-7-5-13(2)6-8-14)20-18(21)15-9-11-16(12-10-15)19(22)23-3/h5-12,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyOUZSLHUWJRYPHO-KRWDZBQOSA-N
MW311.38 g/mol
LogP3.66
Rot. Bonds5

About methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate

methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate (PubChem CID 9297354) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
PubChem CID9297354
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
SMILESCC[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3/c1-4-17(14-7-5-13(2)6-8-14)20-18(21)15-9-11-16(12-10-15)19(22)23-3/h5-12,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1
InChIKeyOUZSLHUWJRYPHO-KRWDZBQOSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
N-[1-(4-methylphenyl)propyl]-1H-pyrrole-3-carboxamide
CID 131929450
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
methyl 4-[1-(4-methylphenyl)propylsulfamoylmethyl]benzoate
CID 46771538

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate (CID 9297354) is methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate is CC[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(C)cc1.
What is the InChIKey of methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate?
The InChIKey is OUZSLHUWJRYPHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-17(14-7-5-13(2)6-8-14)20-18(21)15-9-11-16(12-10-15)19(22)23-3/h5-12,17H,4H2,1-3H3,(H,20,21)/t17-/m0/s1.
What are the key properties of methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate?
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate has a molecular weight of 311.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate is sourced from PubChem (CID 9297354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).