2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid

C19H21NO3 — CID 146137098

IUPAC2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
SMILESCc1ccccc1[C@H](C)N(C)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13-6-4-5-7-17(13)14(2)20(3)19(23)16-10-8-15(9-11-16)12-18(21)22/h4-11,14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyCZOCKXUVTXBUBM-AWEZNQCLSA-N
MW311.38 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid

2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid (PubChem CID 146137098) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
PubChem CID146137098
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid
SMILESCc1ccccc1[C@H](C)N(C)C(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C19H21NO3/c1-13-6-4-5-7-17(13)14(2)20(3)19(23)16-10-8-15(9-11-16)12-18(21)22/h4-11,14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1
InChIKeyCZOCKXUVTXBUBM-AWEZNQCLSA-N
XLogP3.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(chloromethyl)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 60949375
4-(chloromethyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60948899
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
2-(2-methylphenyl)acetic acid
CID 67440217
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
(3S)-3-[benzoyl(methyl)amino]butanoic acid
CID 98014257
3-bromo-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylbenzamide
CID 81458555
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid (CID 146137098) is 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid is Cc1ccccc1[C@H](C)N(C)C(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid?
The InChIKey is CZOCKXUVTXBUBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-6-4-5-7-17(13)14(2)20(3)19(23)16-10-8-15(9-11-16)12-18(21)22/h4-11,14H,12H2,1-3H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid?
2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]phenyl]acetic acid is sourced from PubChem (CID 146137098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).