3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea

C19H25N3O2 — CID 96532415

IUPAC3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
SMILESCOc1cccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)c1
InChIInChI=1S/C19H25N3O2/c1-14(12-16-8-7-9-17(13-16)24-4)21-19(23)22(3)15(2)18-10-5-6-11-20-18/h5-11,13-15H,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyRMGVZZOQSDTOGC-LSDHHAIUSA-N
MW327.43 g/mol
LogP3.42
Rot. Bonds6

About 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea

3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea (PubChem CID 96532415) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
PubChem CID96532415
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea
SMILESCOc1cccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)c1
InChIInChI=1S/C19H25N3O2/c1-14(12-16-8-7-9-17(13-16)24-4)21-19(23)22(3)15(2)18-10-5-6-11-20-18/h5-11,13-15H,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyRMGVZZOQSDTOGC-LSDHHAIUSA-N
XLogP3.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
1-methyl-3-[[3-(phenoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861427
3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
CID 86943339
1-methyl-3-[[3-(phenylmethoxymethyl)phenyl]methyl]-1-(1-pyridin-2-ylethyl)urea
CID 86861386
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
1-ethyl-1-[1-(4-fluorophenyl)ethyl]-3-[1-(3-methoxyphenyl)propan-2-yl]urea
CID 86943844
1-[1-(3-methoxyphenyl)propan-2-yl]-3-(3-pyridin-4-yloxyphenyl)urea
CID 86943708
(E)-N-[1-(3-methoxyphenyl)propan-2-yl]-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 86941732

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The IUPAC name of 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea (CID 96532415) is 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea.
What is the SMILES notation for 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The canonical SMILES for 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea is COc1cccc(C[C@H](C)NC(=O)N(C)[C@H](C)c2ccccn2)c1.
What is the InChIKey of 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
The InChIKey is RMGVZZOQSDTOGC-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(12-16-8-7-9-17(13-16)24-4)21-19(23)22(3)15(2)18-10-5-6-11-20-18/h5-11,13-15H,12H2,1-4H3,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea?
3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[(1R)-1-pyridin-2-ylethyl]urea is sourced from PubChem (CID 96532415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).