1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea

C17H29N3O2 — CID 3070405

IUPAC1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea
SMILESCCCOCC(CNC(=O)Nc1ccccc1)N(CC)CC
InChIInChI=1S/C17H29N3O2/c1-4-12-22-14-16(20(5-2)6-3)13-18-17(21)19-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,19,21)
InChIKeyKIQIGQOPBDMNQR-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.95
Rot. Bonds10

About 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea

1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea (PubChem CID 3070405) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea
PubChem CID3070405
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea
SMILESCCCOCC(CNC(=O)Nc1ccccc1)N(CC)CC
InChIInChI=1S/C17H29N3O2/c1-4-12-22-14-16(20(5-2)6-3)13-18-17(21)19-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,19,21)
InChIKeyKIQIGQOPBDMNQR-UHFFFAOYSA-N
XLogP2.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea?
The IUPAC name of 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea (CID 3070405) is 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea.
What is the SMILES notation for 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea?
The canonical SMILES for 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea is CCCOCC(CNC(=O)Nc1ccccc1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea?
The InChIKey is KIQIGQOPBDMNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-12-22-14-16(20(5-2)6-3)13-18-17(21)19-15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea?
1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea has a molecular weight of 307.44 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-3-propoxypropyl]-3-phenylurea is sourced from PubChem (CID 3070405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).