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

C18H24N4O — CID 18101908

IUPAC1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCCc1ccc(C(CNC(=O)Nc2cccnc2)N(C)C)cc1
InChIInChI=1S/C18H24N4O/c1-4-14-7-9-15(10-8-14)17(22(2)3)13-20-18(23)21-16-6-5-11-19-12-16/h5-12,17H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyRGCWNUPUHXKCQR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.07
Rot. Bonds6

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

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea (PubChem CID 18101908) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
PubChem CID18101908
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea
SMILESCCc1ccc(C(CNC(=O)Nc2cccnc2)N(C)C)cc1
InChIInChI=1S/C18H24N4O/c1-4-14-7-9-15(10-8-14)17(22(2)3)13-20-18(23)21-16-6-5-11-19-12-16/h5-12,17H,4,13H2,1-3H3,(H2,20,21,23)
InChIKeyRGCWNUPUHXKCQR-UHFFFAOYSA-N
XLogP3.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(3-methylphenyl)urea
CID 24528872
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-pyridin-3-ylbutanamide
CID 110623832
1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-pyridin-3-ylethyl]urea
CID 20856780
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 134061146
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 55738090
2-[(pyridin-3-ylcarbamoylamino)methyl]pentanoic acid
CID 65218136
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(4-methoxyphenyl)carbamoylamino]propanamide
CID 43072622
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 51922914
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea (CID 18101908) is 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea is CCc1ccc(C(CNC(=O)Nc2cccnc2)N(C)C)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is RGCWNUPUHXKCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-14-7-9-15(10-8-14)17(22(2)3)13-20-18(23)21-16-6-5-11-19-12-16/h5-12,17H,4,13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea?
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 312.42 g/mol, XLogP of 3.07, 6 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-3-ylurea is sourced from PubChem (CID 18101908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).