1-(3-amino-2,6-dimethylphenyl)-3-propylurea

C12H19N3O — CID 28785713

IUPAC1-(3-amino-2,6-dimethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H19N3O/c1-4-7-14-12(16)15-11-8(2)5-6-10(13)9(11)3/h5-6H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyQRASKJRPASEPKS-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.42
Rot. Bonds3

About 1-(3-amino-2,6-dimethylphenyl)-3-propylurea

1-(3-amino-2,6-dimethylphenyl)-3-propylurea (PubChem CID 28785713) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-amino-2,6-dimethylphenyl)-3-propylurea.

Molecular Properties

Compound Name1-(3-amino-2,6-dimethylphenyl)-3-propylurea
PubChem CID28785713
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(3-amino-2,6-dimethylphenyl)-3-propylurea
SMILESCCCNC(=O)Nc1c(C)ccc(N)c1C
InChIInChI=1S/C12H19N3O/c1-4-7-14-12(16)15-11-8(2)5-6-10(13)9(11)3/h5-6H,4,7,13H2,1-3H3,(H2,14,15,16)
InChIKeyQRASKJRPASEPKS-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
1-(2-amino-5-methylphenyl)-3-propylurea
CID 112557559
methyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 19857501
3-methyl-2-(propylcarbamoylamino)benzoic acid
CID 28785842
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
1-(4-amino-3-bromophenyl)-3-propylurea
CID 82861515
1-(2,6-difluorophenyl)-3-propylurea
CID 21161249
tert-butyl N-(3-amino-2,6-dimethylphenyl)carbamate
CID 24700779
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-dimethylphenyl)-3-propylurea?
The IUPAC name of 1-(3-amino-2,6-dimethylphenyl)-3-propylurea (CID 28785713) is 1-(3-amino-2,6-dimethylphenyl)-3-propylurea.
What is the SMILES notation for 1-(3-amino-2,6-dimethylphenyl)-3-propylurea?
The canonical SMILES for 1-(3-amino-2,6-dimethylphenyl)-3-propylurea is CCCNC(=O)Nc1c(C)ccc(N)c1C.
What is the InChIKey of 1-(3-amino-2,6-dimethylphenyl)-3-propylurea?
The InChIKey is QRASKJRPASEPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-14-12(16)15-11-8(2)5-6-10(13)9(11)3/h5-6H,4,7,13H2,1-3H3,(H2,14,15,16).
What are the key properties of 1-(3-amino-2,6-dimethylphenyl)-3-propylurea?
1-(3-amino-2,6-dimethylphenyl)-3-propylurea has a molecular weight of 221.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,6-dimethylphenyl)-3-propylurea is sourced from PubChem (CID 28785713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).