4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid

C14H20N2O3 — CID 61195847

IUPAC4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid
SMILESCCCN(C)C(=O)N(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-9-15(2)14(19)16(3)10-11-5-7-12(8-6-11)13(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHDCVWBOXFBORIQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.28
Rot. Bonds5

About 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid

4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid (PubChem CID 61195847) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid
PubChem CID61195847
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid
SMILESCCCN(C)C(=O)N(C)Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-4-9-15(2)14(19)16(3)10-11-5-7-12(8-6-11)13(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyHDCVWBOXFBORIQ-UHFFFAOYSA-N
XLogP2.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic 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-[[[ethyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61194167
4-[[methyl(propyl)amino]methyl]benzoic acid
CID 39241525
4-[(N-[methyl(propyl)carbamoyl]anilino)methyl]benzoic acid
CID 134584350
4-[[[cyclopropyl(propyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61195843
4-[[methyl-[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]benzoic acid
CID 61206238
4-[(dipropylamino)methyl]benzoic acid;hydrochloride
CID 75531543
4-[[[cyclopropylmethyl(methyl)carbamoyl]-methylamino]methyl]benzoic acid
CID 61209581
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
4-[[2-(dimethylamino)ethylcarbamoyl-methylamino]methyl]benzoic acid
CID 61187959
4-[[3-carboxypropyl(propyl)amino]methyl]benzoic acid
CID 59265022
4-[[methyl-[(Z)-2-methylpent-2-enoyl]amino]methyl]benzoic acid
CID 51087525

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid (CID 61195847) is 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid is CCCN(C)C(=O)N(C)Cc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid?
The InChIKey is HDCVWBOXFBORIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-9-15(2)14(19)16(3)10-11-5-7-12(8-6-11)13(17)18/h5-8H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid?
4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid has a molecular weight of 264.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[methyl(propyl)carbamoyl]amino]methyl]benzoic acid is sourced from PubChem (CID 61195847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).