1-(4-amino-3-methoxyphenyl)-3-butylurea

C12H19N3O2 — CID 61241787

IUPAC1-(4-amino-3-methoxyphenyl)-3-butylurea
SMILESCCCCNC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-7-14-12(16)15-9-5-6-10(13)11(8-9)17-2/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyBKMPLZJXOBUNPS-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.20
Rot. Bonds5

About 1-(4-amino-3-methoxyphenyl)-3-butylurea

1-(4-amino-3-methoxyphenyl)-3-butylurea (PubChem CID 61241787) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(4-amino-3-methoxyphenyl)-3-butylurea.

Molecular Properties

Compound Name1-(4-amino-3-methoxyphenyl)-3-butylurea
PubChem CID61241787
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(4-amino-3-methoxyphenyl)-3-butylurea
SMILESCCCCNC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C12H19N3O2/c1-3-4-7-14-12(16)15-9-5-6-10(13)11(8-9)17-2/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,15,16)
InChIKeyBKMPLZJXOBUNPS-UHFFFAOYSA-N
XLogP2.20
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-(3,4,5-trimethoxyphenyl)urea
CID 47103391
1-(4-amino-3-methoxyphenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 89176278
1-(4-aminophenyl)-3-butylurea
CID 28785616
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
1-butyl-3-(3,5-dimethoxyphenyl)urea
CID 47103671
4-[(4-ethyl-3-methoxyphenyl)carbamoylamino]butanoic acid
CID 122094954
1-butyl-3-(3-ethyl-4-methylphenyl)urea
CID 113356321
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
1-butyl-3-[3-(butylcarbamoylamino)-4-methylphenyl]urea
CID 4569722
1-[(3-amino-4-methoxyphenyl)methyl]-3-butylurea
CID 54881405

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-butylurea?
The IUPAC name of 1-(4-amino-3-methoxyphenyl)-3-butylurea (CID 61241787) is 1-(4-amino-3-methoxyphenyl)-3-butylurea.
What is the SMILES notation for 1-(4-amino-3-methoxyphenyl)-3-butylurea?
The canonical SMILES for 1-(4-amino-3-methoxyphenyl)-3-butylurea is CCCCNC(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of 1-(4-amino-3-methoxyphenyl)-3-butylurea?
The InChIKey is BKMPLZJXOBUNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-7-14-12(16)15-9-5-6-10(13)11(8-9)17-2/h5-6,8H,3-4,7,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(4-amino-3-methoxyphenyl)-3-butylurea?
1-(4-amino-3-methoxyphenyl)-3-butylurea has a molecular weight of 237.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxyphenyl)-3-butylurea is sourced from PubChem (CID 61241787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).