1-ethyl-3-phenylurea;N-ethylpropan-1-amine

C14H25N3O — CID 70474820

IUPAC1-ethyl-3-phenylurea;N-ethylpropan-1-amine
SMILESCCCNCC.CCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O.C5H13N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-3-5-6-4-2/h3-7H,2H2,1H3,(H2,10,11,12);6H,3-5H2,1-2H3
InChIKeyTWDFFPUQCPOCKH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-3-phenylurea;N-ethylpropan-1-amine

1-ethyl-3-phenylurea;N-ethylpropan-1-amine (PubChem CID 70474820) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-ethyl-3-phenylurea;N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-ethyl-3-phenylurea;N-ethylpropan-1-amine
PubChem CID70474820
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-ethyl-3-phenylurea;N-ethylpropan-1-amine
SMILESCCCNCC.CCNC(=O)Nc1ccccc1
InChIInChI=1S/C9H12N2O.C5H13N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-3-5-6-4-2/h3-7H,2H2,1H3,(H2,10,11,12);6H,3-5H2,1-2H3
InChIKeyTWDFFPUQCPOCKH-UHFFFAOYSA-N
XLogP2.83
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.83
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

1-ethyl-3-phenylurea;2-methyl-N-propylpropan-2-amine
CID 70475064
1-dodecyl-3-phenylurea
CID 3697946
N-[2-(ethylamino)ethyl]-2-(phenylcarbamoylamino)propanamide
CID 119506823
N-[2-(ethylamino)ethyl]-2-methyl-2-(phenylcarbamoylamino)propanamide;hydrochloride
CID 119509598
N'-phenyl-N-propyloxamide
CID 2291438
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
1-ethyl-3-(4-ethylphenyl)urea
CID 20721116
1-anilino-3-ethylurea
CID 67472651
1-(2-ethylbutyl)-3-phenylurea
CID 54410955
1-phenyl-3-(2,2,3,3-tetradeuteriononyl)urea
CID 10659432
1-methyl-3-phenylurea;propane
CID 142949663
1-ethyl-3-[4-[4-(ethylcarbamoylamino)phenyl]sulfanylphenyl]urea
CID 27276347

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylurea;N-ethylpropan-1-amine?
The IUPAC name of 1-ethyl-3-phenylurea;N-ethylpropan-1-amine (CID 70474820) is 1-ethyl-3-phenylurea;N-ethylpropan-1-amine.
What is the SMILES notation for 1-ethyl-3-phenylurea;N-ethylpropan-1-amine?
The canonical SMILES for 1-ethyl-3-phenylurea;N-ethylpropan-1-amine is CCCNCC.CCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-ethyl-3-phenylurea;N-ethylpropan-1-amine?
The InChIKey is TWDFFPUQCPOCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C5H13N/c1-2-10-9(12)11-8-6-4-3-5-7-8;1-3-5-6-4-2/h3-7H,2H2,1H3,(H2,10,11,12);6H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-3-phenylurea;N-ethylpropan-1-amine?
1-ethyl-3-phenylurea;N-ethylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylurea;N-ethylpropan-1-amine is sourced from PubChem (CID 70474820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).