[2-(4-aminobutyl)phenyl]urea

C11H17N3O — CID 117296509

IUPAC[2-(4-aminobutyl)phenyl]urea
SMILESNCCCCc1ccccc1NC(N)=O
InChIInChI=1S/C11H17N3O/c12-8-4-3-6-9-5-1-2-7-10(9)14-11(13)15/h1-2,5,7H,3-4,6,8,12H2,(H3,13,14,15)
InChIKeyAYMVZHXCOUVMBX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.46
Rot. Bonds5

About [2-(4-aminobutyl)phenyl]urea

[2-(4-aminobutyl)phenyl]urea (PubChem CID 117296509) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is [2-(4-aminobutyl)phenyl]urea.

Molecular Properties

Compound Name[2-(4-aminobutyl)phenyl]urea
PubChem CID117296509
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name[2-(4-aminobutyl)phenyl]urea
SMILESNCCCCc1ccccc1NC(N)=O
InChIInChI=1S/C11H17N3O/c12-8-4-3-6-9-5-1-2-7-10(9)14-11(13)15/h1-2,5,7H,3-4,6,8,12H2,(H3,13,14,15)
InChIKeyAYMVZHXCOUVMBX-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(5-aminopentanoylamino)phenyl]propanoic acid
CID 107273556
N-[2-(4-hydroxybutyl)phenyl]acetamide
CID 105460610
[2,3-di(nonyl)phenyl]urea
CID 175243703
4-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119344001
(2-heptadecylphenyl)carbamic acid
CID 71374202
(2-pentylphenyl)carbamothioic S-acid
CID 87699926
(2S)-2-amino-3-[2-(carbamoylamino)phenyl]propanoic acid
CID 141451014
4-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43704976
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
CID 54404494
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
4-amino-N-[2-(methoxymethyl)phenyl]butanamide
CID 43701002
N-(2-tridecylphenyl)prop-2-enamide
CID 175316873

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminobutyl)phenyl]urea?
The IUPAC name of [2-(4-aminobutyl)phenyl]urea (CID 117296509) is [2-(4-aminobutyl)phenyl]urea.
What is the SMILES notation for [2-(4-aminobutyl)phenyl]urea?
The canonical SMILES for [2-(4-aminobutyl)phenyl]urea is NCCCCc1ccccc1NC(N)=O.
What is the InChIKey of [2-(4-aminobutyl)phenyl]urea?
The InChIKey is AYMVZHXCOUVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-8-4-3-6-9-5-1-2-7-10(9)14-11(13)15/h1-2,5,7H,3-4,6,8,12H2,(H3,13,14,15).
What are the key properties of [2-(4-aminobutyl)phenyl]urea?
[2-(4-aminobutyl)phenyl]urea has a molecular weight of 207.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminobutyl)phenyl]urea is sourced from PubChem (CID 117296509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).