2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid

C20H24N2O3 — CID 113226359

IUPAC2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)21(13-17-7-5-4-6-8-17)20(25)22(14-19(23)24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,23,24)
InChIKeyKZIVQDONJVMSKP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.92
Rot. Bonds6

About 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid

2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid (PubChem CID 113226359) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
PubChem CID113226359
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)N(Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-15(2)21(13-17-7-5-4-6-8-17)20(25)22(14-19(23)24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,23,24)
InChIKeyKZIVQDONJVMSKP-UHFFFAOYSA-N
XLogP3.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl-(4-methylphenyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 62003076
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-[4-methyl-N-(4-methylpentanoyl)anilino]acetic acid
CID 60830764
2-(4-hydroxy-N-[propan-2-yl(propyl)carbamoyl]anilino)acetic acid
CID 61195838
N-benzyl-N-propan-2-ylacetamide
CID 23534449
2-(N-acetyl-4-propan-2-ylanilino)-N-benzyl-N-propan-2-ylacetamide
CID 113169817
2-(N-[2-(dimethylamino)ethyl-methylcarbamoyl]-4-methylanilino)acetic acid
CID 63700444
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-(N-(2-hydroxybenzoyl)-4-methylanilino)acetic acid
CID 60831615
2-[N-(3-aminobutanoyl)-4-methylanilino]acetic acid
CID 61161836
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347

Frequently Asked Questions

What is the IUPAC name of 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid (CID 113226359) is 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)N(Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid?
The InChIKey is KZIVQDONJVMSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)21(13-17-7-5-4-6-8-17)20(25)22(14-19(23)24)18-11-9-16(3)10-12-18/h4-12,15H,13-14H2,1-3H3,(H,23,24).
What are the key properties of 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid?
2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid has a molecular weight of 340.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[benzyl(propan-2-yl)carbamoyl]-4-methylanilino)acetic acid is sourced from PubChem (CID 113226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).