1-(2-aminophenyl)-3-nonylurea

C16H27N3O — CID 177454724

IUPAC1-(2-aminophenyl)-3-nonylurea
SMILESCCCCCCCCCNC(=O)Nc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13,17H2,1H3,(H2,18,19,20)
InChIKeyTXAWZZSNWIIWHZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.14
Rot. Bonds9

About 1-(2-aminophenyl)-3-nonylurea

1-(2-aminophenyl)-3-nonylurea (PubChem CID 177454724) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-nonylurea.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-nonylurea
PubChem CID177454724
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-(2-aminophenyl)-3-nonylurea
SMILESCCCCCCCCCNC(=O)Nc1ccccc1N
InChIInChI=1S/C16H27N3O/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13,17H2,1H3,(H2,18,19,20)
InChIKeyTXAWZZSNWIIWHZ-UHFFFAOYSA-N
XLogP4.14
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
2-N-(2-aminophenyl)-5-N-nonylthiophene-2,5-dicarboxamide
CID 10340189
N-(2-aminophenyl)octadecanamide
CID 68839220
1-hexyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 52594776
1-dodecyl-3-phenylurea
CID 3697946
2-[2-(hexylcarbamoylamino)phenyl]-N,N-dimethylacetamide
CID 60577078
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
1-(2-methylsulfonylphenyl)-3-pentylurea
CID 47033227
2-amino-N-dodecylbenzamide
CID 54099396
1-(1H-indol-4-yl)-3-pentylurea
CID 51132800
[2-(butylcarbamoylamino)phenyl]methyl acetate
CID 174857263

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-nonylurea?
The IUPAC name of 1-(2-aminophenyl)-3-nonylurea (CID 177454724) is 1-(2-aminophenyl)-3-nonylurea.
What is the SMILES notation for 1-(2-aminophenyl)-3-nonylurea?
The canonical SMILES for 1-(2-aminophenyl)-3-nonylurea is CCCCCCCCCNC(=O)Nc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-nonylurea?
The InChIKey is TXAWZZSNWIIWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-3-4-5-6-7-10-13-18-16(20)19-15-12-9-8-11-14(15)17/h8-9,11-12H,2-7,10,13,17H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-aminophenyl)-3-nonylurea?
1-(2-aminophenyl)-3-nonylurea has a molecular weight of 277.41 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-nonylurea is sourced from PubChem (CID 177454724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).