(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide

C14H18Cl2N2O4 — CID 124703892

IUPAC(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
SMILESO=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1COCCN1
InChIInChI=1S/C14H18Cl2N2O4/c15-10-2-1-3-12(13(10)16)22-7-9(19)6-18-14(20)11-8-21-5-4-17-11/h1-3,9,11,17,19H,4-8H2,(H,18,20)/t9-,11+/m1/s1
InChIKeyACMYVRSMVMRVIK-KOLCDFICSA-N
MW349.21 g/mol
LogP0.84
Rot. Bonds6

About (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide

(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide (PubChem CID 124703892) has the molecular formula C14H18Cl2N2O4 and a molecular weight of 349.21 g/mol. Its IUPAC name is (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
PubChem CID124703892
Molecular FormulaC14H18Cl2N2O4
Molecular Weight349.21 g/mol
Exact Mass348.06
IUPAC Name(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide
SMILESO=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1COCCN1
InChIInChI=1S/C14H18Cl2N2O4/c15-10-2-1-3-12(13(10)16)22-7-9(19)6-18-14(20)11-8-21-5-4-17-11/h1-3,9,11,17,19H,4-8H2,(H,18,20)/t9-,11+/m1/s1
InChIKeyACMYVRSMVMRVIK-KOLCDFICSA-N
XLogP0.84
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.21
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
N-[[4-(2,3-dichlorophenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119800989
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882
1-(2,3-dichlorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 111466535
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-[2-(2-fluorophenoxy)propyl]morpholine-3-carboxamide
CID 119804849
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860
(3R)-N-[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]morpholine-3-carboxamide
CID 124588211
(4R)-N-[(2R)-3-(2-bromophenoxy)-2-hydroxypropyl]-1,3-thiazolidine-4-carboxamide
CID 124568138

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide (CID 124703892) is (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide is O=C(NC[C@@H](O)COc1cccc(Cl)c1Cl)[C@@H]1COCCN1.
What is the InChIKey of (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide?
The InChIKey is ACMYVRSMVMRVIK-KOLCDFICSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4/c15-10-2-1-3-12(13(10)16)22-7-9(19)6-18-14(20)11-8-21-5-4-17-11/h1-3,9,11,17,19H,4-8H2,(H,18,20)/t9-,11+/m1/s1.
What are the key properties of (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide?
(3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide has a molecular weight of 349.21 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]morpholine-3-carboxamide is sourced from PubChem (CID 124703892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).