1-phenyl-3-[3-(prop-1-enylamino)propyl]urea

C13H19N3O — CID 70507693

IUPAC1-phenyl-3-[3-(prop-1-enylamino)propyl]urea
SMILESCC=CNCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O/c1-2-9-14-10-6-11-15-13(17)16-12-7-4-3-5-8-12/h2-5,7-9,14H,6,10-11H2,1H3,(H2,15,16,17)
InChIKeyISVJHUYBYLHMOE-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.32
Rot. Bonds6

About 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea

1-phenyl-3-[3-(prop-1-enylamino)propyl]urea (PubChem CID 70507693) has the molecular formula C13H19N3O and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[3-(prop-1-enylamino)propyl]urea
PubChem CID70507693
Molecular FormulaC13H19N3O
Molecular Weight233.32 g/mol
Exact Mass233.15
IUPAC Name1-phenyl-3-[3-(prop-1-enylamino)propyl]urea
SMILESCC=CNCCCNC(=O)Nc1ccccc1
InChIInChI=1S/C13H19N3O/c1-2-9-14-10-6-11-15-13(17)16-12-7-4-3-5-8-12/h2-5,7-9,14H,6,10-11H2,1H3,(H2,15,16,17)
InChIKeyISVJHUYBYLHMOE-UHFFFAOYSA-N
XLogP2.32
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.32
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-dodecyl-3-phenylurea
CID 3697946
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
4-(3-methoxypropylcarbamoylamino)-N-phenylbenzamide
CID 52793055
1-(4-phenoxybutyl)-3-phenylurea
CID 19353776
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
1-(4-phenylphenyl)-3-(3-phenylpropyl)urea
CID 108867243
2-methyl-5-(phenylcarbamoylamino)pent-2-enoic acid
CID 57201244
N-[3-[(4-bromophenyl)carbamoylamino]propyl]formamide
CID 108869282
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea?
The IUPAC name of 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea (CID 70507693) is 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea.
What is the SMILES notation for 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea?
The canonical SMILES for 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea is CC=CNCCCNC(=O)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea?
The InChIKey is ISVJHUYBYLHMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-9-14-10-6-11-15-13(17)16-12-7-4-3-5-8-12/h2-5,7-9,14H,6,10-11H2,1H3,(H2,15,16,17).
What are the key properties of 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea?
1-phenyl-3-[3-(prop-1-enylamino)propyl]urea has a molecular weight of 233.32 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[3-(prop-1-enylamino)propyl]urea is sourced from PubChem (CID 70507693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).