1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea

C14H22ClN3O — CID 108891914

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-18(2)11-3-9-16-14(19)17-10-8-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyMGGQLQKMNMEDHQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea (PubChem CID 108891914) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
PubChem CID108891914
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
SMILESCN(C)CCCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClN3O/c1-18(2)11-3-9-16-14(19)17-10-8-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19)
InChIKeyMGGQLQKMNMEDHQ-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)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

1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
CID 108891921
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
3-[(4-chlorophenyl)methylamino]-N-[3-(dimethylamino)propyl]propanamide
CID 109016879
1-[4-(4-chlorophenyl)butyl]-3-propylurea
CID 110357504
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
2-N-[2-(4-chlorophenyl)ethyl]-1-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133673
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
tert-butyl N-[2-[2-(4-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864604
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891118

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea (CID 108891914) is 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea is CN(C)CCCNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea?
The InChIKey is MGGQLQKMNMEDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-18(2)11-3-9-16-14(19)17-10-8-12-4-6-13(15)7-5-12/h4-7H,3,8-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea has a molecular weight of 283.80 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea is sourced from PubChem (CID 108891914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).