2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid

C19H20N2O4 — CID 54241525

IUPAC2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid
SMILESCc1cccc(CNC(=O)N(C)C(=O)c2ccccc2)c1CC(=O)O
InChIInChI=1S/C19H20N2O4/c1-13-7-6-10-15(16(13)11-17(22)23)12-20-19(25)21(2)18(24)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyQQIQSLWKDCVCFL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid

2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid (PubChem CID 54241525) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid
PubChem CID54241525
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid
SMILESCc1cccc(CNC(=O)N(C)C(=O)c2ccccc2)c1CC(=O)O
InChIInChI=1S/C19H20N2O4/c1-13-7-6-10-15(16(13)11-17(22)23)12-20-19(25)21(2)18(24)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyQQIQSLWKDCVCFL-UHFFFAOYSA-N
XLogP2.60
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[ethyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81317762
2-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
CID 54978487
2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81318509
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
2-(2-methylphenyl)acetic acid
CID 67440217
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
1-methyl-3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)urea
CID 86914055
2-[(2-bromophenyl)methylcarbamoyl-methylamino]acetic acid
CID 61414155
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
2-(2-bromo-6-methylphenyl)acetic acid
CID 84736031

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid?
The IUPAC name of 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid (CID 54241525) is 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid?
The canonical SMILES for 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid is Cc1cccc(CNC(=O)N(C)C(=O)c2ccccc2)c1CC(=O)O.
What is the InChIKey of 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid?
The InChIKey is QQIQSLWKDCVCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-6-10-15(16(13)11-17(22)23)12-20-19(25)21(2)18(24)14-8-4-3-5-9-14/h3-10H,11-12H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid?
2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[benzoyl(methyl)carbamoyl]amino]methyl]-6-methylphenyl]acetic acid is sourced from PubChem (CID 54241525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).