1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea

C20H27N3O2 — CID 95283557

IUPAC1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)N[C@H](C)COC)cc1
InChIInChI=1S/C20H27N3O2/c1-4-17-7-9-18(10-8-17)13-23(14-19-6-5-11-21-12-19)20(24)22-16(2)15-25-3/h5-12,16H,4,13-15H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeySYTVIWLMOZRHLS-MRXNPFEDSA-N
MW341.46 g/mol
LogP3.39
Rot. Bonds8

About 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea

1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 95283557) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
PubChem CID95283557
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)N[C@H](C)COC)cc1
InChIInChI=1S/C20H27N3O2/c1-4-17-7-9-18(10-8-17)13-23(14-19-6-5-11-21-12-19)20(24)22-16(2)15-25-3/h5-12,16H,4,13-15H2,1-3H3,(H,22,24)/t16-/m1/s1
InChIKeySYTVIWLMOZRHLS-MRXNPFEDSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 95278483
1-benzyl-3-(1-methoxypropan-2-yl)-1-propylurea
CID 86999284
N-[4-[(4-ethylphenyl)methyl-(pyridin-3-ylmethyl)amino]-4-oxobutan-2-yl]benzamide
CID 47785477
(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 8852538
1-[(4-hydroxyphenyl)methyl]-3-(2-methoxy-2-methylpropyl)-1-(pyridin-3-ylmethyl)urea
CID 119066854
4-[[butan-2-yl(pyridin-3-ylmethyl)amino]methyl]benzoic acid
CID 46988991
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 55595750
1-(1-methoxypropan-2-yl)-3-pyridin-3-ylurea
CID 51264614
2-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]-N-butan-2-ylacetamide
CID 5128589
1-[(4-methylphenyl)methyl]-3-phenyl-1-(pyridin-3-ylmethyl)urea
CID 5147202
methyl 4-[[[(2R)-2-aminopentanethioyl]-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 139608846

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea (CID 95283557) is 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea is CCc1ccc(CN(Cc2cccnc2)C(=O)N[C@H](C)COC)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is SYTVIWLMOZRHLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-17-7-9-18(10-8-17)13-23(14-19-6-5-11-21-12-19)20(24)22-16(2)15-25-3/h5-12,16H,4,13-15H2,1-3H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea?
1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 341.46 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 95283557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).