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

C19H25N3O2 — CID 95278483

IUPAC3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOC[C@@H](C)NC(=O)N(Cc1cccnc1)Cc1ccccc1C
InChIInChI=1S/C19H25N3O2/c1-15-7-4-5-9-18(15)13-22(12-17-8-6-10-20-11-17)19(23)21-16(2)14-24-3/h4-11,16H,12-14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyMEXDQUZKFNGVTB-MRXNPFEDSA-N
MW327.43 g/mol
LogP3.14
Rot. Bonds7

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

3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea (PubChem CID 95278483) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
PubChem CID95278483
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
SMILESCOC[C@@H](C)NC(=O)N(Cc1cccnc1)Cc1ccccc1C
InChIInChI=1S/C19H25N3O2/c1-15-7-4-5-9-18(15)13-22(12-17-8-6-10-20-11-17)19(23)21-16(2)14-24-3/h4-11,16H,12-14H2,1-3H3,(H,21,23)/t16-/m1/s1
InChIKeyMEXDQUZKFNGVTB-MRXNPFEDSA-N
XLogP3.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-3-[(2R)-1-methoxypropan-2-yl]-1-(pyridin-3-ylmethyl)urea
CID 95283557
1-[(2-methylphenyl)methyl]-3-pyridin-3-yl-1-(pyridin-3-ylmethyl)urea
CID 47075709
3-cyclopropyl-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 47848242
3-[cyclopropyl-(4-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea
CID 86900844
3-acetamido-3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)propanamide
CID 55983104
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
N-[(2-methylphenyl)methyl]-2-naphthalen-2-yloxy-N-(pyridin-3-ylmethyl)acetamide
CID 52725225
(E)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52725212
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75910588
N-[(2-methylphenyl)methyl]-3-(2-nitroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 55983106
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 47068322
3-(3-fluorophenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 76868208

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The IUPAC name of 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea (CID 95278483) is 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea is COC[C@@H](C)NC(=O)N(Cc1cccnc1)Cc1ccccc1C.
What is the InChIKey of 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
The InChIKey is MEXDQUZKFNGVTB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-7-4-5-9-18(15)13-22(12-17-8-6-10-20-11-17)19(23)21-16(2)14-24-3/h4-11,16H,12-14H2,1-3H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea?
3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-methoxypropan-2-yl]-1-[(2-methylphenyl)methyl]-1-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 95278483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).