1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea

C19H26N4O — CID 134061146

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCc1ccc(C(CNC(=O)NCc2ccccn2)N(C)C)cc1
InChIInChI=1S/C19H26N4O/c1-4-15-8-10-16(11-9-15)18(23(2)3)14-22-19(24)21-13-17-7-5-6-12-20-17/h5-12,18H,4,13-14H2,1-3H3,(H2,21,22,24)
InChIKeyNNSZNYOSJOKVOS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.75
Rot. Bonds7

About 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (PubChem CID 134061146) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
PubChem CID134061146
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
SMILESCCc1ccc(C(CNC(=O)NCc2ccccn2)N(C)C)cc1
InChIInChI=1S/C19H26N4O/c1-4-15-8-10-16(11-9-15)18(23(2)3)14-22-19(24)21-13-17-7-5-6-12-20-17/h5-12,18H,4,13-14H2,1-3H3,(H2,21,22,24)
InChIKeyNNSZNYOSJOKVOS-UHFFFAOYSA-N
XLogP2.75
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)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-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-(pyridin-2-ylmethyl)urea
CID 94027034
1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
1-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 94028278
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18101908
3-[(pyridin-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 81073177
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
4-(dimethylamino)-4-[4-(pyridin-2-ylmethyl)phenyl]butan-2-one
CID 59078586
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081
1-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-3-pyridin-2-ylurea
CID 110491991
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea (CID 134061146) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is CCc1ccc(C(CNC(=O)NCc2ccccn2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
The InChIKey is NNSZNYOSJOKVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-15-8-10-16(11-9-15)18(23(2)3)14-22-19(24)21-13-17-7-5-6-12-20-17/h5-12,18H,4,13-14H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea has a molecular weight of 326.44 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 134061146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).