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

C19H24ClN3O2 — CID 11532525

IUPAC1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-23(2)13-12-18(14-4-6-15(20)7-5-14)22-19(24)21-16-8-10-17(25-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyNYPNVOJFYPOGKC-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.16
Rot. Bonds7

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

1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea (PubChem CID 11532525) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea
PubChem CID11532525
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H24ClN3O2/c1-23(2)13-12-18(14-4-6-15(20)7-5-14)22-19(24)21-16-8-10-17(25-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyNYPNVOJFYPOGKC-UHFFFAOYSA-N
XLogP4.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea (CID 11532525) is 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC(CCN(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea?
The InChIKey is NYPNVOJFYPOGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-23(2)13-12-18(14-4-6-15(20)7-5-14)22-19(24)21-16-8-10-17(25-3)11-9-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea?
1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea has a molecular weight of 361.87 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 11532525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).