1-amino-1-(4-phenylbutyl)urea

C11H17N3O — CID 170908979

IUPAC1-amino-1-(4-phenylbutyl)urea
SMILESNC(=O)N(N)CCCCc1ccccc1
InChIInChI=1S/C11H17N3O/c12-11(15)14(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2,(H2,12,15)
InChIKeyMNLQCXMAXXQHFN-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.26
Rot. Bonds5

About 1-amino-1-(4-phenylbutyl)urea

1-amino-1-(4-phenylbutyl)urea (PubChem CID 170908979) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-amino-1-(4-phenylbutyl)urea.

Molecular Properties

Compound Name1-amino-1-(4-phenylbutyl)urea
PubChem CID170908979
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-amino-1-(4-phenylbutyl)urea
SMILESNC(=O)N(N)CCCCc1ccccc1
InChIInChI=1S/C11H17N3O/c12-11(15)14(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2,(H2,12,15)
InChIKeyMNLQCXMAXXQHFN-UHFFFAOYSA-N
XLogP1.26
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
2-amino-N-methyl-N-(4-phenylbutyl)acetamide
CID 60946836
1-amino-1-[5-[amino(carbamoyl)amino]pentyl]urea;dihydrochloride
CID 174463274
4-phenylbutylbenzene
CID 141301927
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N,N-bis(5-phenylpentyl)aniline
CID 173233703
8-phenyloctyl carbamate
CID 67180735
1-amino-1-[2-(4-chlorophenyl)ethyl]urea
CID 66954070
2-amino-N-methyl-N-(3-phenylpropyl)acetamide
CID 43588759
1,9-diphenylnonan-5-one
CID 23467830
4-[phenylcarbamoyl(6-phenylhexyl)amino]butanamide
CID 11361035

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-phenylbutyl)urea?
The IUPAC name of 1-amino-1-(4-phenylbutyl)urea (CID 170908979) is 1-amino-1-(4-phenylbutyl)urea.
What is the SMILES notation for 1-amino-1-(4-phenylbutyl)urea?
The canonical SMILES for 1-amino-1-(4-phenylbutyl)urea is NC(=O)N(N)CCCCc1ccccc1.
What is the InChIKey of 1-amino-1-(4-phenylbutyl)urea?
The InChIKey is MNLQCXMAXXQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-11(15)14(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,13H2,(H2,12,15).
What are the key properties of 1-amino-1-(4-phenylbutyl)urea?
1-amino-1-(4-phenylbutyl)urea has a molecular weight of 207.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-phenylbutyl)urea is sourced from PubChem (CID 170908979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).