(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide

C15H21ClN2O2 — CID 97099885

IUPAC(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@@H]1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-2-18-8-9-20-11-14(18)15(19)17-7-6-12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyYNGSIJWSXVTHEL-CQSZACIVSA-N
MW296.80 g/mol
LogP1.72
Rot. Bonds5

About (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide

(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide (PubChem CID 97099885) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
PubChem CID97099885
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@@H]1C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-2-18-8-9-20-11-14(18)15(19)17-7-6-12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)/t14-/m1/s1
InChIKeyYNGSIJWSXVTHEL-CQSZACIVSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 110649460
4-amino-N-[2-(3-chlorophenyl)ethyl]oxolane-3-carboxamide
CID 66237478
1-[2-(3-chlorophenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111031372
N-[2-(3-chlorophenyl)ethyl]-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
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1-(3-chloro-4-methylphenyl)-N-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187806
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-[(6-chloro-3-pyridinyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83099251
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
N-[2-(3-chlorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131872

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide (CID 97099885) is (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide is CCN1CCOC[C@@H]1C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide?
The InChIKey is YNGSIJWSXVTHEL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-18-8-9-20-11-14(18)15(19)17-7-6-12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide?
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 97099885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).