(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate

C19H22N2O3 — CID 2813061

IUPAC(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)Oc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-11-15(2)13-16(12-14)20-19(22)24-18-6-4-3-5-17(18)21-7-9-23-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)
InChIKeyBLOVBCDFQRQYDT-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.75
Rot. Bonds3

About (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate

(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate (PubChem CID 2813061) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate.

Molecular Properties

Compound Name(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
PubChem CID2813061
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
SMILESCc1cc(C)cc(NC(=O)Oc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C19H22N2O3/c1-14-11-15(2)13-16(12-14)20-19(22)24-18-6-4-3-5-17(18)21-7-9-23-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)
InChIKeyBLOVBCDFQRQYDT-UHFFFAOYSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-(3,5-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 6457503
(2R)-N-(3,5-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-2-phenylacetamide
CID 25334129
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
4-(2-methoxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 51115408
N-(3,5-dimethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-4-carboxamide
CID 112853445
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
1-(2-morpholin-4-ylphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 17272352

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The IUPAC name of (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate (CID 2813061) is (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate.
What is the SMILES notation for (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The canonical SMILES for (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate is Cc1cc(C)cc(NC(=O)Oc2ccccc2N2CCOCC2)c1.
What is the InChIKey of (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
The InChIKey is BLOVBCDFQRQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-11-15(2)13-16(12-14)20-19(22)24-18-6-4-3-5-17(18)21-7-9-23-10-8-21/h3-6,11-13H,7-10H2,1-2H3,(H,20,22).
What are the key properties of (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate?
(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate is sourced from PubChem (CID 2813061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).