2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid

C15H22N2O4 — CID 82940320

IUPAC2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
SMILESCCCOCCCNC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-10-21-11-6-9-16-15(20)17(2)13-8-5-4-7-12(13)14(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJKANEIMGDDZEHZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.35
Rot. Bonds8

About 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid

2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid (PubChem CID 82940320) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
PubChem CID82940320
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
SMILESCCCOCCCNC(=O)N(C)c1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-3-10-21-11-6-9-16-15(20)17(2)13-8-5-4-7-12(13)14(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyJKANEIMGDDZEHZ-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872
2-[methyl-(2-propoxyacetyl)amino]benzoic acid
CID 113287953
3-butyl-1-(2-hydroxyphenyl)-1-methylurea
CID 14025265
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
3-butyl-1-methyl-1-(2-methylphenyl)urea
CID 116655391
2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
CID 62057527
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
1-butoxybutane;2-hydroxybenzoic acid
CID 160692059
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-methyl-3-(3-propoxypropylsulfamoyl)benzoic acid
CID 82941000
2-[3-methoxypropanoyl(methyl)amino]benzoic acid
CID 55023389
2-[[butyl(ethyl)carbamoyl]-methylamino]benzoic acid
CID 61185339

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid (CID 82940320) is 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid is CCCOCCCNC(=O)N(C)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid?
The InChIKey is JKANEIMGDDZEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-10-21-11-6-9-16-15(20)17(2)13-8-5-4-7-12(13)14(18)19/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid?
2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid is sourced from PubChem (CID 82940320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).