1-(2-amino-4-methoxyphenyl)-3-propylurea

C11H17N3O2 — CID 28785607

IUPAC1-(2-amino-4-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-6-13-11(15)14-10-5-4-8(16-2)7-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyVJXVUVGXKAUQBZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-amino-4-methoxyphenyl)-3-propylurea

1-(2-amino-4-methoxyphenyl)-3-propylurea (PubChem CID 28785607) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-3-propylurea
PubChem CID28785607
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-(2-amino-4-methoxyphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1ccc(OC)cc1N
InChIInChI=1S/C11H17N3O2/c1-3-6-13-11(15)14-10-5-4-8(16-2)7-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15)
InChIKeyVJXVUVGXKAUQBZ-UHFFFAOYSA-N
XLogP1.81
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea
CID 143443885
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
2-(butylcarbamoylamino)-5-methoxybenzoic acid
CID 115411198
N-(2-amino-4-methoxyphenyl)-2-(diethylamino)propanamide
CID 16779414
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
N-(2-amino-4-methoxyphenyl)-2-(2,2-difluoroethoxy)propanamide
CID 82005336
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
CID 70844328

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-3-propylurea?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-3-propylurea (CID 28785607) is 1-(2-amino-4-methoxyphenyl)-3-propylurea.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-3-propylurea?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-3-propylurea is CCCNC(=O)Nc1ccc(OC)cc1N.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-3-propylurea?
The InChIKey is VJXVUVGXKAUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-6-13-11(15)14-10-5-4-8(16-2)7-9(10)12/h4-5,7H,3,6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(2-amino-4-methoxyphenyl)-3-propylurea?
1-(2-amino-4-methoxyphenyl)-3-propylurea has a molecular weight of 223.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-3-propylurea is sourced from PubChem (CID 28785607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).