1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea

C17H29N3O — CID 108891118

IUPAC1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC)CCCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-6-12-18-17(21)19-13-11-16-9-7-15(3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H2,18,19,21)
InChIKeyUFYKHNIFSPTYMU-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.57
Rot. Bonds9

About 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea

1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea (PubChem CID 108891118) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
PubChem CID108891118
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea
SMILESCCN(CC)CCCNC(=O)NCCc1ccc(C)cc1
InChIInChI=1S/C17H29N3O/c1-4-20(5-2)14-6-12-18-17(21)19-13-11-16-9-7-15(3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H2,18,19,21)
InChIKeyUFYKHNIFSPTYMU-UHFFFAOYSA-N
XLogP2.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901941
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027
1-(3-methoxypropyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 108891008
1-methyl-3-[2-(4-methylphenyl)ethyl]urea
CID 18334314
1-[2-(4-ethylphenyl)ethyl]-3-[(4-methylphenyl)methyl]urea
CID 3855520
N-[5-(diethylamino)pentyl]-4-methylbenzamide
CID 110440389
1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
1-[3-(diethylamino)propyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108899894
1-[[4-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 108891247
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(4-methylphenyl)ethyl]urea
CID 111506397
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea (CID 108891118) is 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea is CCN(CC)CCCNC(=O)NCCc1ccc(C)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea?
The InChIKey is UFYKHNIFSPTYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-20(5-2)14-6-12-18-17(21)19-13-11-16-9-7-15(3)8-10-16/h7-10H,4-6,11-14H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea?
1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea has a molecular weight of 291.44 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-[2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 108891118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).