4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid

C15H22N2O3 — CID 81273386

IUPAC4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid
SMILESCc1cc(N(CCCC(=O)O)C(C)C)ccc1C(N)=O
InChIInChI=1S/C15H22N2O3/c1-10(2)17(8-4-5-14(18)19)12-6-7-13(15(16)20)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyVXKRHFIVAGTIFU-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds7

About 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid

4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid (PubChem CID 81273386) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid.

Molecular Properties

Compound Name4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid
PubChem CID81273386
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid
SMILESCc1cc(N(CCCC(=O)O)C(C)C)ccc1C(N)=O
InChIInChI=1S/C15H22N2O3/c1-10(2)17(8-4-5-14(18)19)12-6-7-13(15(16)20)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)(H,18,19)
InChIKeyVXKRHFIVAGTIFU-UHFFFAOYSA-N
XLogP2.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic 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

4-(4-bromo-2-carbamoyl-N-propan-2-ylanilino)butanoic acid
CID 114890003
3-(4-cyano-3-methyl-N-propan-2-ylanilino)propanoic acid
CID 81274416
2-(4-carbamoyl-N,3-dimethylanilino)propanoic acid
CID 81273832
4-(3-nitro-N-propan-2-ylanilino)butanoic acid
CID 54925929
4-[(4-carbamoyl-2-methylphenyl)methyl-propan-2-ylamino]butanoic acid
CID 114484567
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
2-(4-carbamoyl-N-cyclopropyl-3-methylanilino)acetic acid
CID 81274144
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
ethyl 4-[heptyl(propan-2-yl)amino]benzoate
CID 139788803
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
methyl 3-(4-carbamothioyl-N,3-dimethylanilino)-2-methylpropanoate
CID 81277047
ethyl 2-amino-5-[propan-2-yl(propyl)amino]benzoate
CID 61307358

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid?
The IUPAC name of 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid (CID 81273386) is 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid.
What is the SMILES notation for 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid?
The canonical SMILES for 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid is Cc1cc(N(CCCC(=O)O)C(C)C)ccc1C(N)=O.
What is the InChIKey of 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid?
The InChIKey is VXKRHFIVAGTIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17(8-4-5-14(18)19)12-6-7-13(15(16)20)11(3)9-12/h6-7,9-10H,4-5,8H2,1-3H3,(H2,16,20)(H,18,19).
What are the key properties of 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid?
4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoyl-3-methyl-N-propan-2-ylanilino)butanoic acid is sourced from PubChem (CID 81273386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).