1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

C19H25N3O3 — CID 96516422

IUPAC1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)NCCc2ccc(C)nc2)c(OC)c1
InChIInChI=1S/C19H25N3O3/c1-13-5-6-15(12-21-13)9-10-20-19(23)22-14(2)17-8-7-16(24-3)11-18(17)25-4/h5-8,11-12,14H,9-10H2,1-4H3,(H2,20,22,23)/t14-/m1/s1
InChIKeyOBDWTKPYIMHWER-CQSZACIVSA-N
MW343.43 g/mol
LogP3.01
Rot. Bonds7

About 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea

1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (PubChem CID 96516422) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
PubChem CID96516422
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea
SMILESCOc1ccc([C@@H](C)NC(=O)NCCc2ccc(C)nc2)c(OC)c1
InChIInChI=1S/C19H25N3O3/c1-13-5-6-15(12-21-13)9-10-20-19(23)22-14(2)17-8-7-16(24-3)11-18(17)25-4/h5-8,11-12,14H,9-10H2,1-4H3,(H2,20,22,23)/t14-/m1/s1
InChIKeyOBDWTKPYIMHWER-CQSZACIVSA-N
XLogP3.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea with MolForge

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Related Compounds

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[2-[4-(trifluoromethoxy)phenyl]ethyl]urea;hydrochloride
CID 78888853
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
1-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 94047872
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55929778
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42924612
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]urea
CID 47048402
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]urea
CID 98953347
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea (CID 96516422) is 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is COc1ccc([C@@H](C)NC(=O)NCCc2ccc(C)nc2)c(OC)c1.
What is the InChIKey of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
The InChIKey is OBDWTKPYIMHWER-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-5-6-15(12-21-13)9-10-20-19(23)22-14(2)17-8-7-16(24-3)11-18(17)25-4/h5-8,11-12,14H,9-10H2,1-4H3,(H2,20,22,23)/t14-/m1/s1.
What are the key properties of 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea?
1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(6-methyl-3-pyridinyl)ethyl]urea is sourced from PubChem (CID 96516422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).