N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide

C15H21ClN2O3 — CID 78892218

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-15(2)10-18(6-7-21-15)14(19)17-9-11-8-12(16)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyXYOMMIHZEQMVFE-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.67
Rot. Bonds3

About N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide

N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide (PubChem CID 78892218) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
PubChem CID78892218
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide
SMILESCOc1ccc(Cl)cc1CNC(=O)N1CCOC(C)(C)C1
InChIInChI=1S/C15H21ClN2O3/c1-15(2)10-18(6-7-21-15)14(19)17-9-11-8-12(16)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyXYOMMIHZEQMVFE-UHFFFAOYSA-N
XLogP2.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
4-[[(2,2-dimethylmorpholine-4-carbonyl)amino]methyl]benzoic acid
CID 61202032
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119735604
2,2-dimethyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 86984527
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(ethylamino)acetamide
CID 115157863
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 146123480
4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 122562275

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide (CID 78892218) is N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide is COc1ccc(Cl)cc1CNC(=O)N1CCOC(C)(C)C1.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
The InChIKey is XYOMMIHZEQMVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-15(2)10-18(6-7-21-15)14(19)17-9-11-8-12(16)4-5-13(11)20-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide?
N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide has a molecular weight of 312.80 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2,2-dimethylmorpholine-4-carboxamide is sourced from PubChem (CID 78892218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).