1-(4-aminophenyl)-3-butylurea

C11H17N3O — CID 28785616

IUPAC1-(4-aminophenyl)-3-butylurea
SMILESCCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
InChIKeyBPXLFDSFGRXBLI-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.19
Rot. Bonds4

About 1-(4-aminophenyl)-3-butylurea

1-(4-aminophenyl)-3-butylurea (PubChem CID 28785616) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-butylurea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-butylurea
PubChem CID28785616
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(4-aminophenyl)-3-butylurea
SMILESCCCCNC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H17N3O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
InChIKeyBPXLFDSFGRXBLI-UHFFFAOYSA-N
XLogP2.19
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
1-(4-aminophenyl)-3-[3-(methanesulfonamido)propyl]urea
CID 106340062
1-(4-aminophenyl)-3-(2-chloroethyl)urea
CID 108896976
1-(4-aminophenyl)-3-[2-(carbamoylamino)ethyl]urea
CID 83121373
3-[4-(butylcarbamoylamino)phenyl]propanamide
CID 91054834
4-(butylcarbamoylamino)benzenesulfonyl chloride
CID 2757350
1-(4-chlorophenyl)-3-undecylurea
CID 3711116
1-(4-fluorophenyl)-3-octadecylurea
CID 4518520
1-(4-amino-2-methylphenyl)-3-butylurea
CID 28785624
1-(4-aminophenyl)-3-(4-phenylbutyl)urea
CID 108897090
1-(4-amino-3-methoxyphenyl)-3-butylurea
CID 61241787
1-dodecyl-3-phenylurea
CID 3697946

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-butylurea?
The IUPAC name of 1-(4-aminophenyl)-3-butylurea (CID 28785616) is 1-(4-aminophenyl)-3-butylurea.
What is the SMILES notation for 1-(4-aminophenyl)-3-butylurea?
The canonical SMILES for 1-(4-aminophenyl)-3-butylurea is CCCCNC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-butylurea?
The InChIKey is BPXLFDSFGRXBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-8-13-11(15)14-10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-(4-aminophenyl)-3-butylurea?
1-(4-aminophenyl)-3-butylurea has a molecular weight of 207.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-butylurea is sourced from PubChem (CID 28785616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).