2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid

C15H22N2O4 — CID 82941568

IUPAC2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
SMILESCCCOCCCNC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-10-21-11-6-9-16-15(20)17(12-14(18)19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyWMRPEXMYFGNOFT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.10
Rot. Bonds9

About 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid

2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid (PubChem CID 82941568) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
PubChem CID82941568
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
SMILESCCCOCCCNC(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O4/c1-2-10-21-11-6-9-16-15(20)17(12-14(18)19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,20)(H,18,19)
InChIKeyWMRPEXMYFGNOFT-UHFFFAOYSA-N
XLogP2.10
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.10
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-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
2-[N-(pent-4-ynylcarbamoyl)anilino]acetic acid
CID 113364158
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
2-[cyclopropyl(3-propoxypropylcarbamoyl)amino]acetic acid
CID 82944448
2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
CID 82940320
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
2-[N-(2,2-dimethylbutylcarbamoyl)anilino]acetic acid
CID 103463334
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
CID 61499192
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
3-[3-(4-tert-butylphenoxy)propyl]-1-ethyl-1-phenylurea
CID 108882781

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid?
The IUPAC name of 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid (CID 82941568) is 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid.
What is the SMILES notation for 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid?
The canonical SMILES for 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid is CCCOCCCNC(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid?
The InChIKey is WMRPEXMYFGNOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-2-10-21-11-6-9-16-15(20)17(12-14(18)19)13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid?
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid is sourced from PubChem (CID 82941568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).