1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea

C15H24ClN3O2 — CID 108875528

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClN3O2/c1-4-19(5-2)10-6-9-17-15(20)18-13-11-12(16)7-8-14(13)21-3/h7-8,11H,4-6,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyNTDKGZMBNNNWBI-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.20
Rot. Bonds8

About 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea (PubChem CID 108875528) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
PubChem CID108875528
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
SMILESCCN(CC)CCCNC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C15H24ClN3O2/c1-4-19(5-2)10-6-9-17-15(20)18-13-11-12(16)7-8-14(13)21-3/h7-8,11H,4-6,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyNTDKGZMBNNNWBI-UHFFFAOYSA-N
XLogP3.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[3-(diethylamino)propyl]-2-methoxybenzamide
CID 4632919
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
1-(5-chloro-2-methoxyphenyl)-3-(cyanomethyl)urea
CID 108864649
methyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]acetate
CID 108875604
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-hydroxyphenyl)ethyl]urea
CID 108875470
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 35284622
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]acetic acid
CID 61013224
1-(5-chloro-2-methoxyphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 2225448
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 3669367
1-(3-chlorophenyl)-3-[4-(diethylamino)butyl]urea
CID 110446856
(2S)-2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-propylpropanamide
CID 51928333

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea (CID 108875528) is 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea is CCN(CC)CCCNC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea?
The InChIKey is NTDKGZMBNNNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-4-19(5-2)10-6-9-17-15(20)18-13-11-12(16)7-8-14(13)21-3/h7-8,11H,4-6,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea has a molecular weight of 313.83 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea is sourced from PubChem (CID 108875528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).