pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate

C16H16N2O4 — CID 20716333

IUPACpyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
SMILESCOc1cc(C(C)=O)ccc1NC(=O)OCc1ccncc1
InChIInChI=1S/C16H16N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZBDUJTPTDFLNRQ-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.04
Rot. Bonds5

About pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate

pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate (PubChem CID 20716333) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Namepyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
PubChem CID20716333
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namepyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
SMILESCOc1cc(C(C)=O)ccc1NC(=O)OCc1ccncc1
InChIInChI=1S/C16H16N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20)
InChIKeyZBDUJTPTDFLNRQ-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate
CID 20716331
methyl 3-methoxy-4-(pyridin-4-ylmethoxy)benzoate
CID 16785387
2-(4-acetyl-2-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168607608
pyridin-4-ylmethyl N-(2,5-difluorophenyl)carbamate
CID 134113794
pyridin-4-ylmethyl N-(2-fluorophenyl)carbamate
CID 117059992
3-methoxy-4-(methoxycarbonylamino)benzoic acid
CID 58375560
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
(4-acetamido-3-methoxyphenyl)methyl N-ethanethioylcarbamate
CID 58894087
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
N-(4-acetyl-2-methoxyphenyl)formamide
CID 145382079
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
CID 2626045

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The IUPAC name of pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate (CID 20716333) is pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate.
What is the SMILES notation for pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The canonical SMILES for pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate is COc1cc(C(C)=O)ccc1NC(=O)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
The InChIKey is ZBDUJTPTDFLNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(19)13-3-4-14(15(9-13)21-2)18-16(20)22-10-12-5-7-17-8-6-12/h3-9H,10H2,1-2H3,(H,18,20).
What are the key properties of pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate?
pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate has a molecular weight of 300.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl N-(4-acetyl-2-methoxyphenyl)carbamate is sourced from PubChem (CID 20716333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).