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

C18H19N3O4 — CID 18951141

IUPAC2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O4/c1-13-6-5-7-14(10-13)20-18(25)19-11-16(22)21(12-17(23)24)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,23,24)(H2,19,20,25)
InChIKeyUPMYWTFAWKTHJC-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.23
Rot. Bonds6

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

2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid (PubChem CID 18951141) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
PubChem CID18951141
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)O)c2ccccc2)c1
InChIInChI=1S/C18H19N3O4/c1-13-6-5-7-14(10-13)20-18(25)19-11-16(22)21(12-17(23)24)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,23,24)(H2,19,20,25)
InChIKeyUPMYWTFAWKTHJC-UHFFFAOYSA-N
XLogP2.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996931
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 67858378
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
CID 19754797
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574
N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide
CID 10817669
N-[3-[2-(3-hydroxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 10698959
ethyl 2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]benzoate
CID 19002043
(E)-3-[3-[[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]phenyl]prop-2-enoic acid
CID 14997027
N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,2,3-trimethylanilino)ethoxy]phenyl]acetamide
CID 10603935
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid (CID 18951141) is 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid is Cc1cccc(NC(=O)NCC(=O)N(CC(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
The InChIKey is UPMYWTFAWKTHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13-6-5-7-14(10-13)20-18(25)19-11-16(22)21(12-17(23)24)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H,23,24)(H2,19,20,25).
What are the key properties of 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid?
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid has a molecular weight of 341.37 g/mol, XLogP of 2.23, 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)acetic acid is sourced from PubChem (CID 18951141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).