(1-phenylethylamino)urea

C9H13N3O — CID 3063444

IUPAC(1-phenylethylamino)urea
SMILESCC(NNC(N)=O)c1ccccc1
InChIInChI=1S/C9H13N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-7,11H,1H3,(H3,10,12,13)
InChIKeyUANSEHOWYWIIMA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.92
Rot. Bonds3

About (1-phenylethylamino)urea

(1-phenylethylamino)urea (PubChem CID 3063444) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is (1-phenylethylamino)urea.

Molecular Properties

Compound Name(1-phenylethylamino)urea
PubChem CID3063444
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name(1-phenylethylamino)urea
SMILESCC(NNC(N)=O)c1ccccc1
InChIInChI=1S/C9H13N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-7,11H,1H3,(H3,10,12,13)
InChIKeyUANSEHOWYWIIMA-UHFFFAOYSA-N
XLogP0.92
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(1R)-1-phenylethyl]acetohydrazide
CID 134953253
ethyl N-[[(1S)-1-phenylethyl]amino]carbamate
CID 76967986
2-phenoxy-N'-(1-phenylethyl)acetohydrazide
CID 23275370
(2R)-2-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 33398197
[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 81350343
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
CID 11832930
4-(dimethylamino)-N'-(1-phenylethyl)benzohydrazide
CID 19432094
2-[1-(2-carbamoylhydrazinyl)ethyl]pyridine-3-carboxylic acid
CID 174445183
(2-phenylbutanoylamino)urea
CID 63946462
[(1R)-1-phenylethyl]thiourea
CID 696701
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-(benzhydrylamino)-N-carbamoylpropanamide
CID 42915569

Frequently Asked Questions

What is the IUPAC name of (1-phenylethylamino)urea?
The IUPAC name of (1-phenylethylamino)urea (CID 3063444) is (1-phenylethylamino)urea.
What is the SMILES notation for (1-phenylethylamino)urea?
The canonical SMILES for (1-phenylethylamino)urea is CC(NNC(N)=O)c1ccccc1.
What is the InChIKey of (1-phenylethylamino)urea?
The InChIKey is UANSEHOWYWIIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-7,11H,1H3,(H3,10,12,13).
What are the key properties of (1-phenylethylamino)urea?
(1-phenylethylamino)urea has a molecular weight of 179.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylethylamino)urea is sourced from PubChem (CID 3063444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).