1-(3-aminophenyl)-3-butyl-1-propylurea

C14H23N3O — CID 63230297

IUPAC1-(3-aminophenyl)-3-butyl-1-propylurea
SMILESCCCCNC(=O)N(CCC)c1cccc(N)c1
InChIInChI=1S/C14H23N3O/c1-3-5-9-16-14(18)17(10-4-2)13-8-6-7-12(15)11-13/h6-8,11H,3-5,9-10,15H2,1-2H3,(H,16,18)
InChIKeyCUIGYUUYRYRTGK-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.99
Rot. Bonds6

About 1-(3-aminophenyl)-3-butyl-1-propylurea

1-(3-aminophenyl)-3-butyl-1-propylurea (PubChem CID 63230297) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-3-butyl-1-propylurea.

Molecular Properties

Compound Name1-(3-aminophenyl)-3-butyl-1-propylurea
PubChem CID63230297
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-aminophenyl)-3-butyl-1-propylurea
SMILESCCCCNC(=O)N(CCC)c1cccc(N)c1
InChIInChI=1S/C14H23N3O/c1-3-5-9-16-14(18)17(10-4-2)13-8-6-7-12(15)11-13/h6-8,11H,3-5,9-10,15H2,1-2H3,(H,16,18)
InChIKeyCUIGYUUYRYRTGK-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63229820
N-(3-aminophenyl)-5-chloro-2-methyl-N-propylbenzamide
CID 82877888
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-3-butyl-1-propylurea?
The IUPAC name of 1-(3-aminophenyl)-3-butyl-1-propylurea (CID 63230297) is 1-(3-aminophenyl)-3-butyl-1-propylurea.
What is the SMILES notation for 1-(3-aminophenyl)-3-butyl-1-propylurea?
The canonical SMILES for 1-(3-aminophenyl)-3-butyl-1-propylurea is CCCCNC(=O)N(CCC)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-3-butyl-1-propylurea?
The InChIKey is CUIGYUUYRYRTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-5-9-16-14(18)17(10-4-2)13-8-6-7-12(15)11-13/h6-8,11H,3-5,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 1-(3-aminophenyl)-3-butyl-1-propylurea?
1-(3-aminophenyl)-3-butyl-1-propylurea has a molecular weight of 249.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-3-butyl-1-propylurea is sourced from PubChem (CID 63230297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).