(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate

C21H20N2O2 — CID 58973017

IUPAC(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate
SMILESCc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-16-19(8-5-9-20(16)18-6-3-2-4-7-18)15-25-21(24)23-14-17-10-12-22-13-11-17/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyYUVVGZPJWJNXEM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.48
Rot. Bonds5

About (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate

(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate (PubChem CID 58973017) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate.

Molecular Properties

Compound Name(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate
PubChem CID58973017
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate
SMILESCc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1
InChIInChI=1S/C21H20N2O2/c1-16-19(8-5-9-20(16)18-6-3-2-4-7-18)15-25-21(24)23-14-17-10-12-22-13-11-17/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyYUVVGZPJWJNXEM-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)methyl N-(isoquinolin-5-yl)carbamate
CID 11162142
6-Isoquinolin-4-yl-1,4-dihydro-3,1-benzoxazin-2-one
CID 44480390
(R)-6-(3-hydroxypropyl)-6-phenyl-3-((S)-1-(4-(pyridin-4-yl)phenyl)ethyl)-1,3-oxazinan-2-one
CID 58485355
(4-tert-butylphenyl)methyl N-(isoquinolin-5-yl)carbamate
CID 11314719
4-Methylbenzyl (3-pyridinylmethyl)carbamate
CID 1500306
(2,6-Diethylphenyl)(3-pyridinyl)methyl acetate
CID 5236931
pyridin-3-ylmethyl N-[(Z)-heptadec-8-enyl]carbamate
CID 71770553
N-[(1-Cbz-4-piperidyl)methyl]pyridin-4-amine
CID 9797385
[6,6''-Dimethyl-2''-(2-pyridin-2-yl-ethylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11827109
4-[3-[(4-Phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]pyridine
CID 24785977
6-Pyridin-3-yl-1,4-dihydro-3,1-benzoxazin-2-one
CID 44480389
US9872852, Example 217
CID 121452784

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate?
The IUPAC name of (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate (CID 58973017) is (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate.
What is the SMILES notation for (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate?
The canonical SMILES for (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate is Cc1c(COC(=O)NCc2ccncc2)cccc1-c1ccccc1.
What is the InChIKey of (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate?
The InChIKey is YUVVGZPJWJNXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-19(8-5-9-20(16)18-6-3-2-4-7-18)15-25-21(24)23-14-17-10-12-22-13-11-17/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate?
(2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate has a molecular weight of 332.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-phenylphenyl)methyl N-(pyridin-4-ylmethyl)carbamate is sourced from PubChem (CID 58973017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).