(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide

C19H29N3O4 — CID 120937874

IUPAC(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)[C@H]2NCCO[C@@H]2C)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O4/c1-14-18(20-7-10-26-14)19(23)21-13-17(22-8-11-25-12-9-22)15-3-5-16(24-2)6-4-15/h3-6,14,17-18,20H,7-13H2,1-2H3,(H,21,23)/t14-,17?,18+/m1/s1
InChIKeyHCEKLDIAEKYSBL-CFNGDTMJSA-N
MW363.46 g/mol
LogP0.56
Rot. Bonds6

About (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120937874) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120937874
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)[C@H]2NCCO[C@@H]2C)N2CCOCC2)cc1
InChIInChI=1S/C19H29N3O4/c1-14-18(20-7-10-26-14)19(23)21-13-17(22-8-11-25-12-9-22)15-3-5-16(24-2)6-4-15/h3-6,14,17-18,20H,7-13H2,1-2H3,(H,21,23)/t14-,17?,18+/m1/s1
InChIKeyHCEKLDIAEKYSBL-CFNGDTMJSA-N
XLogP0.56
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
(2R,3S)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120937945
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
2-amino-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide;dihydrochloride
CID 119829745

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide (CID 120937874) is (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide is COc1ccc(C(CNC(=O)[C@H]2NCCO[C@@H]2C)N2CCOCC2)cc1.
What is the InChIKey of (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is HCEKLDIAEKYSBL-CFNGDTMJSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-14-18(20-7-10-26-14)19(23)21-13-17(22-8-11-25-12-9-22)15-3-5-16(24-2)6-4-15/h3-6,14,17-18,20H,7-13H2,1-2H3,(H,21,23)/t14-,17?,18+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).