phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate

C20H18N2O3 — CID 110360643

IUPACphenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
SMILESCOc1ccc(N(Cc2cccnc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-11-9-17(10-12-18)22(15-16-6-5-13-21-14-16)20(23)25-19-7-3-2-4-8-19/h2-14H,15H2,1H3
InChIKeySYNWRWVCAPAGET-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.30
Rot. Bonds5

About phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate

phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate (PubChem CID 110360643) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
PubChem CID110360643
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Namephenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
SMILESCOc1ccc(N(Cc2cccnc2)C(=O)Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3/c1-24-18-11-9-17(10-12-18)22(15-16-6-5-13-21-14-16)20(23)25-19-7-3-2-4-8-19/h2-14H,15H2,1H3
InChIKeySYNWRWVCAPAGET-UHFFFAOYSA-N
XLogP4.30
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
ethyl N-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110361011
N-benzyl-N-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 167873021
N-(4-methoxyphenyl)-4-(morpholin-4-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 46957652
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679
2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-N-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110619957

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate (CID 110360643) is phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate is COc1ccc(N(Cc2cccnc2)C(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is SYNWRWVCAPAGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-24-18-11-9-17(10-12-18)22(15-16-6-5-13-21-14-16)20(23)25-19-7-3-2-4-8-19/h2-14H,15H2,1H3.
What are the key properties of phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate?
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 334.38 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 110360643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).