1-(3-aminopropyl)-3-butyl-1-phenylurea

C14H23N3O — CID 43135983

IUPAC1-(3-aminopropyl)-3-butyl-1-phenylurea
SMILESCCCCNC(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,15H2,1H3,(H,16,18)
InChIKeyYTXBVJSOWWDJMW-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.35
Rot. Bonds7

About 1-(3-aminopropyl)-3-butyl-1-phenylurea

1-(3-aminopropyl)-3-butyl-1-phenylurea (PubChem CID 43135983) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-butyl-1-phenylurea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-butyl-1-phenylurea
PubChem CID43135983
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(3-aminopropyl)-3-butyl-1-phenylurea
SMILESCCCCNC(=O)N(CCCN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,15H2,1H3,(H,16,18)
InChIKeyYTXBVJSOWWDJMW-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.35
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-(4-methylphenyl)urea
CID 43318692
3-[N-(butylcarbamoyl)anilino]propanoic acid
CID 60828926
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
1-(3-amino-3-sulfanylidenepropyl)-3-butyl-1-phenylurea
CID 28787290
1-(3-aminopropyl)-3-butyl-1-(2-methylphenyl)urea
CID 43318701
2-[N-(butylcarbamoyl)-4-chloroanilino]acetic acid
CID 60830139
4-[[butyl(phenyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840212
1-(3-aminopropyl)-1-(4-methoxyphenyl)-3-propylurea
CID 43136229
1-(3-aminophenyl)-3-butyl-1-propylurea
CID 63230297
2-[N-(3-propoxypropylcarbamoyl)anilino]acetic acid
CID 82941568
N-(3-aminopropyl)-2-ethyl-N-phenylhexanamide
CID 43135930
4-[N-(3-methylsulfanylpropylcarbamoyl)anilino]butanoic acid
CID 63958568

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-butyl-1-phenylurea?
The IUPAC name of 1-(3-aminopropyl)-3-butyl-1-phenylurea (CID 43135983) is 1-(3-aminopropyl)-3-butyl-1-phenylurea.
What is the SMILES notation for 1-(3-aminopropyl)-3-butyl-1-phenylurea?
The canonical SMILES for 1-(3-aminopropyl)-3-butyl-1-phenylurea is CCCCNC(=O)N(CCCN)c1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-3-butyl-1-phenylurea?
The InChIKey is YTXBVJSOWWDJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-11-16-14(18)17(12-7-10-15)13-8-5-4-6-9-13/h4-6,8-9H,2-3,7,10-12,15H2,1H3,(H,16,18).
What are the key properties of 1-(3-aminopropyl)-3-butyl-1-phenylurea?
1-(3-aminopropyl)-3-butyl-1-phenylurea has a molecular weight of 249.36 g/mol, XLogP of 2.35, 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-phenylurea is sourced from PubChem (CID 43135983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).