2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid

C19H21N3O4 — CID 19754797

IUPAC2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C)C(=O)O)c1
InChIInChI=1S/C19H21N3O4/c1-13-7-6-8-15(11-13)21-19(26)20-12-17(23)22(14(2)18(24)25)16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyQOFSNCNJPKMAPF-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.62
Rot. Bonds6

About 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid

2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid (PubChem CID 19754797) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid.

Molecular Properties

Compound Name2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
PubChem CID19754797
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C)C(=O)O)c1
InChIInChI=1S/C19H21N3O4/c1-13-7-6-8-15(11-13)21-19(26)20-12-17(23)22(14(2)18(24)25)16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyQOFSNCNJPKMAPF-UHFFFAOYSA-N
XLogP2.62
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951163
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996931
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574
N-(5-methylhexan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 86983414
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
N-(3,3-dimethyl-1-oxobutan-2-yl)-2-[(3-methylphenyl)carbamoylamino]-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 57250252
2-[(2-aminoacetyl)-[(3-methylphenyl)carbamoyl]amino]propanoic acid
CID 170308811

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid?
The IUPAC name of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid (CID 19754797) is 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid.
What is the SMILES notation for 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid?
The canonical SMILES for 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid is Cc1cccc(NC(=O)NCC(=O)N(c2ccccc2)C(C)C(=O)O)c1.
What is the InChIKey of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid?
The InChIKey is QOFSNCNJPKMAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-7-6-8-15(11-13)21-19(26)20-12-17(23)22(14(2)18(24)25)16-9-4-3-5-10-16/h3-11,14H,12H2,1-2H3,(H,24,25)(H2,20,21,26).
What are the key properties of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid?
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid has a molecular weight of 355.39 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid is sourced from PubChem (CID 19754797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).