[4-(propylamino)phenyl]urea

C10H15N3O — CID 43745026

IUPAC[4-(propylamino)phenyl]urea
SMILESCCCNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H15N3O/c1-2-7-12-8-3-5-9(6-4-8)13-10(11)14/h3-6,12H,2,7H2,1H3,(H3,11,13,14)
InChIKeyXOVXPZQPCKBDIP-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds4

About [4-(propylamino)phenyl]urea

[4-(propylamino)phenyl]urea (PubChem CID 43745026) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is [4-(propylamino)phenyl]urea.

Molecular Properties

Compound Name[4-(propylamino)phenyl]urea
PubChem CID43745026
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name[4-(propylamino)phenyl]urea
SMILESCCCNc1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H15N3O/c1-2-7-12-8-3-5-9(6-4-8)13-10(11)14/h3-6,12H,2,7H2,1H3,(H3,11,13,14)
InChIKeyXOVXPZQPCKBDIP-UHFFFAOYSA-N
XLogP2.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)phenyl]urea?
The IUPAC name of [4-(propylamino)phenyl]urea (CID 43745026) is [4-(propylamino)phenyl]urea.
What is the SMILES notation for [4-(propylamino)phenyl]urea?
The canonical SMILES for [4-(propylamino)phenyl]urea is CCCNc1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-(propylamino)phenyl]urea?
The InChIKey is XOVXPZQPCKBDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-7-12-8-3-5-9(6-4-8)13-10(11)14/h3-6,12H,2,7H2,1H3,(H3,11,13,14).
What are the key properties of [4-(propylamino)phenyl]urea?
[4-(propylamino)phenyl]urea has a molecular weight of 193.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)phenyl]urea is sourced from PubChem (CID 43745026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).