(3-ethylphenyl)urea;N-propylbutan-1-amine

C16H29N3O — CID 70474371

IUPAC(3-ethylphenyl)urea;N-propylbutan-1-amine
SMILESCCCCNCCC.CCc1cccc(NC(N)=O)c1
InChIInChI=1S/C9H12N2O.C7H17N/c1-2-7-4-3-5-8(6-7)11-9(10)12;1-3-5-7-8-6-4-2/h3-6H,2H2,1H3,(H3,10,11,12);8H,3-7H2,1-2H3
InChIKeyZEIPYNHWCMBSFP-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.53
Rot. Bonds7

About (3-ethylphenyl)urea;N-propylbutan-1-amine

(3-ethylphenyl)urea;N-propylbutan-1-amine (PubChem CID 70474371) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is (3-ethylphenyl)urea;N-propylbutan-1-amine.

Molecular Properties

Compound Name(3-ethylphenyl)urea;N-propylbutan-1-amine
PubChem CID70474371
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name(3-ethylphenyl)urea;N-propylbutan-1-amine
SMILESCCCCNCCC.CCc1cccc(NC(N)=O)c1
InChIInChI=1S/C9H12N2O.C7H17N/c1-2-7-4-3-5-8(6-7)11-9(10)12;1-3-5-7-8-6-4-2/h3-6H,2H2,1H3,(H3,10,11,12);8H,3-7H2,1-2H3
InChIKeyZEIPYNHWCMBSFP-UHFFFAOYSA-N
XLogP3.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)acetamide;N-propylbutan-1-amine
CID 70391748
2-[[amino(butylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093856
N-(3-ethylphenyl)decanamide
CID 4053743
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
N-ethylbutan-1-amine;N-(3-ethylphenyl)-2-phenylmethoxyacetamide
CID 70392592
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
N-ethylbutan-1-amine;N-(3-ethylphenyl)formamide
CID 88630078
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
4-[(carbamoylamino)methyl]-N-(3-ethylphenyl)benzamide
CID 29352763
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)urea;N-propylbutan-1-amine?
The IUPAC name of (3-ethylphenyl)urea;N-propylbutan-1-amine (CID 70474371) is (3-ethylphenyl)urea;N-propylbutan-1-amine.
What is the SMILES notation for (3-ethylphenyl)urea;N-propylbutan-1-amine?
The canonical SMILES for (3-ethylphenyl)urea;N-propylbutan-1-amine is CCCCNCCC.CCc1cccc(NC(N)=O)c1.
What is the InChIKey of (3-ethylphenyl)urea;N-propylbutan-1-amine?
The InChIKey is ZEIPYNHWCMBSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C7H17N/c1-2-7-4-3-5-8(6-7)11-9(10)12;1-3-5-7-8-6-4-2/h3-6H,2H2,1H3,(H3,10,11,12);8H,3-7H2,1-2H3.
What are the key properties of (3-ethylphenyl)urea;N-propylbutan-1-amine?
(3-ethylphenyl)urea;N-propylbutan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)urea;N-propylbutan-1-amine is sourced from PubChem (CID 70474371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).