1-amino-3-(2-phenylethylamino)urea

C9H14N4O — CID 150752697

IUPAC1-amino-3-(2-phenylethylamino)urea
SMILESNNC(=O)NNCCc1ccccc1
InChIInChI=1S/C9H14N4O/c10-12-9(14)13-11-7-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H2,12,13,14)
InChIKeyJWEZIUVQGOXTFU-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.09
Rot. Bonds4

About 1-amino-3-(2-phenylethylamino)urea

1-amino-3-(2-phenylethylamino)urea (PubChem CID 150752697) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-amino-3-(2-phenylethylamino)urea.

Molecular Properties

Compound Name1-amino-3-(2-phenylethylamino)urea
PubChem CID150752697
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-amino-3-(2-phenylethylamino)urea
SMILESNNC(=O)NNCCc1ccccc1
InChIInChI=1S/C9H14N4O/c10-12-9(14)13-11-7-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H2,12,13,14)
InChIKeyJWEZIUVQGOXTFU-UHFFFAOYSA-N
XLogP-0.09
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-(4-phenylphenyl)ethyl]urea
CID 115192894
4-chloro-N'-(2-phenylethyl)benzohydrazide
CID 110168183
1-(2-phenylethyl)-2-(3-phenylpropyl)hydrazine
CID 56631422
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669
3-phenylpropylurea;hydrochloride
CID 174579396
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
1-[[(2R)-2-aminopropanoyl]amino]-3-(2-phenylethyl)urea
CID 69141088
4-amino-N-(2-phenylethyl)-4-sulfanylidenebutanamide
CID 94263404
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
1-ethyl-2-(2-phenylethyl)hydrazine
CID 154352967
(carboxyamino)carbamic acid;3-phenylpropylbenzene;hydroiodide
CID 162266552

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-phenylethylamino)urea?
The IUPAC name of 1-amino-3-(2-phenylethylamino)urea (CID 150752697) is 1-amino-3-(2-phenylethylamino)urea.
What is the SMILES notation for 1-amino-3-(2-phenylethylamino)urea?
The canonical SMILES for 1-amino-3-(2-phenylethylamino)urea is NNC(=O)NNCCc1ccccc1.
What is the InChIKey of 1-amino-3-(2-phenylethylamino)urea?
The InChIKey is JWEZIUVQGOXTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-12-9(14)13-11-7-6-8-4-2-1-3-5-8/h1-5,11H,6-7,10H2,(H2,12,13,14).
What are the key properties of 1-amino-3-(2-phenylethylamino)urea?
1-amino-3-(2-phenylethylamino)urea has a molecular weight of 194.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-phenylethylamino)urea is sourced from PubChem (CID 150752697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).