(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

C16H23ClN2O4 — CID 120925384

IUPAC(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCCOc1c(Cl)cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1OC
InChIInChI=1S/C16H23ClN2O4/c1-4-22-15-12(17)7-11(8-13(15)21-3)9-19-16(20)14-10(2)23-6-5-18-14/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,19,20)/t10-,14+/m1/s1
InChIKeyIEHRBEAOFRTNFV-YGRLFVJLSA-N
MW342.82 g/mol
LogP1.74
Rot. Bonds6

About (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120925384) has the molecular formula C16H23ClN2O4 and a molecular weight of 342.82 g/mol. Its IUPAC name is (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120925384
Molecular FormulaC16H23ClN2O4
Molecular Weight342.82 g/mol
Exact Mass342.13
IUPAC Name(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCCOc1c(Cl)cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1OC
InChIInChI=1S/C16H23ClN2O4/c1-4-22-15-12(17)7-11(8-13(15)21-3)9-19-16(20)14-10(2)23-6-5-18-14/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,19,20)/t10-,14+/m1/s1
InChIKeyIEHRBEAOFRTNFV-YGRLFVJLSA-N
XLogP1.74
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120919660
cis-(1S,2R)-2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125131649
1,3-bis[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]urea
CID 166185875
(2R,3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919539
(2R,3S)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-methylmorpholine-3-carboxamide
CID 120919803
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide
CID 119293697
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119731433
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919750
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
(3R,4S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925388
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 120925384) is (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is CCOc1c(Cl)cc(CNC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.
What is the InChIKey of (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is IEHRBEAOFRTNFV-YGRLFVJLSA-N. The full InChI is InChI=1S/C16H23ClN2O4/c1-4-22-15-12(17)7-11(8-13(15)21-3)9-19-16(20)14-10(2)23-6-5-18-14/h7-8,10,14,18H,4-6,9H2,1-3H3,(H,19,20)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 342.82 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120925384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).