1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea

C18H24N4O2 — CID 124569034

IUPAC1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOc1cccc([C@@H](CNC(=O)Nc2ccncc2C)N(C)C)c1
InChIInChI=1S/C18H24N4O2/c1-13-11-19-9-8-16(13)21-18(23)20-12-17(22(2)3)14-6-5-7-15(10-14)24-4/h5-11,17H,12H2,1-4H3,(H2,19,20,21,23)/t17-/m1/s1
InChIKeyZITQCZNPIWVBSQ-QGZVFWFLSA-N
MW328.42 g/mol
LogP2.82
Rot. Bonds6

About 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea

1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea (PubChem CID 124569034) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
PubChem CID124569034
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea
SMILESCOc1cccc([C@@H](CNC(=O)Nc2ccncc2C)N(C)C)c1
InChIInChI=1S/C18H24N4O2/c1-13-11-19-9-8-16(13)21-18(23)20-12-17(22(2)3)14-6-5-7-15(10-14)24-4/h5-11,17H,12H2,1-4H3,(H2,19,20,21,23)/t17-/m1/s1
InChIKeyZITQCZNPIWVBSQ-QGZVFWFLSA-N
XLogP2.82
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 24528863
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
1-(3-chlorophenyl)-3-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 41318353
1-(5-chloro-2-methoxyphenyl)-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 55697126
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94171617
2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]acetic acid
CID 43445772
3-[2-[[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]carbamoylamino]phenyl]sulfanylpropanamide
CID 56557188
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 51291088
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79203822
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 55361997
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea (CID 124569034) is 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea is COc1cccc([C@@H](CNC(=O)Nc2ccncc2C)N(C)C)c1.
What is the InChIKey of 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is ZITQCZNPIWVBSQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-19-9-8-16(13)21-18(23)20-12-17(22(2)3)14-6-5-7-15(10-14)24-4/h5-11,17H,12H2,1-4H3,(H2,19,20,21,23)/t17-/m1/s1.
What are the key properties of 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea?
1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 328.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 124569034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).