N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide

C17H25NO3 — CID 52574182

IUPACN-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-4-18(17(19)14-8-10-21-11-9-14)13(2)15-6-5-7-16(12-15)20-3/h5-7,12-14H,4,8-11H2,1-3H3/t13-/m1/s1
InChIKeyNPXJVSISMJMOQE-CYBMUJFWSA-N
MW291.39 g/mol
LogP3.03
Rot. Bonds5

About N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide

N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide (PubChem CID 52574182) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
PubChem CID52574182
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
SMILESCCN(C(=O)C1CCOCC1)[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C17H25NO3/c1-4-18(17(19)14-8-10-21-11-9-14)13(2)15-6-5-7-16(12-15)20-3/h5-7,12-14H,4,8-11H2,1-3H3/t13-/m1/s1
InChIKeyNPXJVSISMJMOQE-CYBMUJFWSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-ethylsulfonyl-N-[1-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 75807755
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
N-ethyl-N-[1-[4-(3-methoxyphenyl)phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119813208
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]oxane-4-carboxamide
CID 30839706
N-ethyl-3-iodo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 55593336
(3S)-N-ethyl-N-[(R)-(4-methoxyphenyl)-pyridin-3-ylmethyl]oxolane-3-carboxamide
CID 97213070
3-[[ethyl-[1-(3-methoxyphenyl)ethyl]carbamoyl]amino]propanoic acid
CID 122019316
N-ethyl-2-(3-fluorophenoxy)-N-[1-(3-methoxyphenyl)ethyl]propanamide
CID 78853259
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 55591908
2-(2-bromophenoxy)-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 112821920
N-ethyl-2,4-difluoro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 75807721

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide (CID 52574182) is N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide is CCN(C(=O)C1CCOCC1)[C@H](C)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is NPXJVSISMJMOQE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-18(17(19)14-8-10-21-11-9-14)13(2)15-6-5-7-16(12-15)20-3/h5-7,12-14H,4,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide?
N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 52574182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).