1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea

C15H23N3O2 — CID 112501881

IUPAC1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(CNC(=O)NC2CC2)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-18(2)14(10-16-15(19)17-12-6-7-12)11-4-8-13(20-3)9-5-11/h4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,16,17,19)
InChIKeyHALQLCJUVJZCGE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds6

About 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea

1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea (PubChem CID 112501881) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
PubChem CID112501881
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(C(CNC(=O)NC2CC2)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-18(2)14(10-16-15(19)17-12-6-7-12)11-4-8-13(20-3)9-5-11/h4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,16,17,19)
InChIKeyHALQLCJUVJZCGE-UHFFFAOYSA-N
XLogP1.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255833
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 17447079
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea
CID 43001414
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 94024716
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-iodophenyl)urea
CID 55697090
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(1,1-dioxothiolan-3-yl)-2-methylguanidine
CID 111142103
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110621142
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]cyclopentanesulfonamide
CID 110302059
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea (CID 112501881) is 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea is COc1ccc(C(CNC(=O)NC2CC2)N(C)C)cc1.
What is the InChIKey of 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is HALQLCJUVJZCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)14(10-16-15(19)17-12-6-7-12)11-4-8-13(20-3)9-5-11/h4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea?
1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 277.37 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 112501881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).