N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide

C15H21ClN2O3 — CID 114779044

IUPACN-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CC(CO)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-10-4-5-11(6-13(10)16)17-14(20)18-7-12(8-19)21-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H,17,20)
InChIKeyGRCALJFTKRWVHV-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.65
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide

N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 114779044) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
PubChem CID114779044
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
SMILESCc1ccc(NC(=O)N2CC(CO)OC(C)(C)C2)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-10-4-5-11(6-13(10)16)17-14(20)18-7-12(8-19)21-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H,17,20)
InChIKeyGRCALJFTKRWVHV-UHFFFAOYSA-N
XLogP2.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(hydroxymethyl)-N-(4-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779052
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(3-chloro-4-methylphenyl)methanone
CID 114781128
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(3,4-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102934811
(2-chloro-5-sulfanylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 107036506
(3,5-dichlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778552
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
2-[[4-[(3-chloro-4-methylphenyl)carbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122073549
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
N-(3-chloro-4-methylphenyl)-4-cyano-4-methylpiperidine-1-carboxamide
CID 103993100
(2R)-N-(3-chloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 47480669

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide (CID 114779044) is N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide is Cc1ccc(NC(=O)N2CC(CO)OC(C)(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is GRCALJFTKRWVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10-4-5-11(6-13(10)16)17-14(20)18-7-12(8-19)21-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H,17,20).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 114779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).