N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide

C21H26N2O3 — CID 119770882

IUPACN-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)C2CNCCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)11-13-23(16-18-5-3-2-4-6-18)21(24)20-15-22-12-14-26-20/h2-10,20,22H,11-16H2,1H3
InChIKeyPEMJNBVKZSUGFX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.25
Rot. Bonds7

About N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide

N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide (PubChem CID 119770882) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
PubChem CID119770882
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
SMILESCOc1ccc(CCN(Cc2ccccc2)C(=O)C2CNCCO2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)11-13-23(16-18-5-3-2-4-6-18)21(24)20-15-22-12-14-26-20/h2-10,20,22H,11-16H2,1H3
InChIKeyPEMJNBVKZSUGFX-UHFFFAOYSA-N
XLogP2.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 154900232
N-(2-methoxyethyl)-N-(3-phenylpropyl)morpholine-2-carboxamide
CID 119756078
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
CID 119688888
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
3-(4-methoxyphenyl)-1-[4-(morpholine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 119754722
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 119779586
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
(2R)-N-[(2,3-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)morpholine-2-carboxamide
CID 95724930
N-benzyl-2-morpholin-2-yl-N-propylacetamide
CID 66433391

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide (CID 119770882) is N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide is COc1ccc(CCN(Cc2ccccc2)C(=O)C2CNCCO2)cc1.
What is the InChIKey of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
The InChIKey is PEMJNBVKZSUGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-9-7-17(8-10-19)11-13-23(16-18-5-3-2-4-6-18)21(24)20-15-22-12-14-26-20/h2-10,20,22H,11-16H2,1H3.
What are the key properties of N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide?
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119770882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).