1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea

C15H25N3O — CID 43318692

IUPAC1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
SMILESCCCCNC(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-5-10-16)14-8-6-13(2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyAHVQAUCGUCFVAU-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds7

About 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea

1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea (PubChem CID 43318692) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
PubChem CID43318692
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea
SMILESCCCCNC(=O)N(CCCN)c1ccc(C)cc1
InChIInChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-5-10-16)14-8-6-13(2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19)
InChIKeyAHVQAUCGUCFVAU-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
N-(3-aminopropyl)-5-methyl-N-(4-methylphenyl)furan-2-carboxamide
CID 43135941
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
N-(3-aminopropyl)-N-(4-methylphenyl)cyclobutanecarboxamide
CID 43135948
1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
CID 4299857
N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]heptanamide
CID 42726462

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea (CID 43318692) is 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea is CCCCNC(=O)N(CCCN)c1ccc(C)cc1.
What is the InChIKey of 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea?
The InChIKey is AHVQAUCGUCFVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-4-11-17-15(19)18(12-5-10-16)14-8-6-13(2)7-9-14/h6-9H,3-5,10-12,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea?
1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea has a molecular weight of 263.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-butyl-1-(4-methylphenyl)urea is sourced from PubChem (CID 43318692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).