(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide

C19H26ClNO4 — CID 23818510

IUPAC(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)N(C)C)=C[C@H](c2ccc(Cl)cc2)[C@@H]1CCCO
InChIInChI=1S/C19H26ClNO4/c1-4-24-19-15(6-5-11-22)16(13-7-9-14(20)10-8-13)12-17(25-19)18(23)21(2)3/h7-10,12,15-16,19,22H,4-6,11H2,1-3H3/t15-,16+,19+/m0/s1
InChIKeyKUPQWDGRULGOTE-FRQCXROJSA-N
MW367.87 g/mol
LogP3.18
Rot. Bonds7

About (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23818510) has the molecular formula C19H26ClNO4 and a molecular weight of 367.87 g/mol. Its IUPAC name is (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23818510
Molecular FormulaC19H26ClNO4
Molecular Weight367.87 g/mol
Exact Mass367.16
IUPAC Name(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)N(C)C)=C[C@H](c2ccc(Cl)cc2)[C@@H]1CCCO
InChIInChI=1S/C19H26ClNO4/c1-4-24-19-15(6-5-11-22)16(13-7-9-14(20)10-8-13)12-17(25-19)18(23)21(2)3/h7-10,12,15-16,19,22H,4-6,11H2,1-3H3/t15-,16+,19+/m0/s1
InChIKeyKUPQWDGRULGOTE-FRQCXROJSA-N
XLogP3.18
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 23818510) is (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)N(C)C)=C[C@H](c2ccc(Cl)cc2)[C@@H]1CCCO.
What is the InChIKey of (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is KUPQWDGRULGOTE-FRQCXROJSA-N. The full InChI is InChI=1S/C19H26ClNO4/c1-4-24-19-15(6-5-11-22)16(13-7-9-14(20)10-8-13)12-17(25-19)18(23)21(2)3/h7-10,12,15-16,19,22H,4-6,11H2,1-3H3/t15-,16+,19+/m0/s1.
What are the key properties of (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 367.87 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-(4-chlorophenyl)-2-ethoxy-3-(3-hydroxypropyl)-N,N-dimethyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23818510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).