(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate

C20H22N2O4 — CID 171824401

IUPAC(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
SMILESCc1ccc(COC(=O)Nc2ccc(CN3CCOCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-15-2-4-17(5-3-15)13-26-20(24)21-18-8-6-16(7-9-18)12-22-10-11-25-14-19(22)23/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyCRLBLFCZTBAWJK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.10
Rot. Bonds5

About (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate

(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate (PubChem CID 171824401) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
PubChem CID171824401
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate
SMILESCc1ccc(COC(=O)Nc2ccc(CN3CCOCC3=O)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-15-2-4-17(5-3-15)13-26-20(24)21-18-8-6-16(7-9-18)12-22-10-11-25-14-19(22)23/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyCRLBLFCZTBAWJK-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylphenyl)methyl N-[4-(2-amino-2-oxoethyl)phenyl]carbamate
CID 171824814
4-[[4-(aminomethyl)phenyl]methyl]morpholin-3-one
CID 79468522
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000
[4-[(3-oxomorpholin-4-yl)methyl]phenyl]boronic acid
CID 155710289
2-amino-5-[(3-oxomorpholin-4-yl)methyl]benzoic acid
CID 174520823
ethane;(4-methylphenyl)methyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
CID 171823999
[4-(1,3-dioxolan-2-yl)-3-ethoxyphenyl]methyl N-(4-methylphenyl)carbamate
CID 22095150
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
methyl-methylidene-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyloxymethyl]phosphanium
CID 123669278
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate?
The IUPAC name of (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate (CID 171824401) is (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate?
The canonical SMILES for (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate is Cc1ccc(COC(=O)Nc2ccc(CN3CCOCC3=O)cc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate?
The InChIKey is CRLBLFCZTBAWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-15-2-4-17(5-3-15)13-26-20(24)21-18-8-6-16(7-9-18)12-22-10-11-25-14-19(22)23/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate?
(4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 171824401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).