1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea

C16H18N4O2 — CID 3970440

IUPAC1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea
SMILESO=C(NCCNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15(19-13-7-3-1-4-8-13)17-11-12-18-16(22)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19,21)(H2,18,20,22)
InChIKeyCDTIOGUIESQOJT-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.63
Rot. Bonds5

About 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea

1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea (PubChem CID 3970440) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea
PubChem CID3970440
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea
SMILESO=C(NCCNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c21-15(19-13-7-3-1-4-8-13)17-11-12-18-16(22)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19,21)(H2,18,20,22)
InChIKeyCDTIOGUIESQOJT-UHFFFAOYSA-N
XLogP2.63
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Siduron
CID 16116
Carbanilide
CID 7595
Fenuron
CID 7560
N-Methyl-N',N'-diphenylurea
CID 25711
N,N'-Diphenylethylenediamine
CID 67422
Centralite
CID 6828
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-Methyl-3-phenylurea
CID 13880
1,3-Dimethyl-1,3-diphenylurea
CID 11917
N-Cyclopentyl-N'-phenylurea
CID 25740
N-phenylpyrrolidine-1-carboxamide
CID 791811
1-Ethyl-1,3-diphenylurea
CID 98685

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea?
The IUPAC name of 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea (CID 3970440) is 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea.
What is the SMILES notation for 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea?
The canonical SMILES for 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea is O=C(NCCNC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea?
The InChIKey is CDTIOGUIESQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(19-13-7-3-1-4-8-13)17-11-12-18-16(22)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea?
1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea has a molecular weight of 298.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea is sourced from PubChem (CID 3970440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).