(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C20H30N2O4 — CID 6671051

IUPAC(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)Nc2ccccc2N)=C[C@H](C(C)C)[C@H]1CCCO
InChIInChI=1S/C20H30N2O4/c1-4-25-20-14(8-7-11-23)15(13(2)3)12-18(26-20)19(24)22-17-10-6-5-9-16(17)21/h5-6,9-10,12-15,20,23H,4,7-8,11,21H2,1-3H3,(H,22,24)/t14-,15-,20-/m1/s1
InChIKeyMYXKDEGJZXPFRJ-STXHMFSFSA-N
MW362.47 g/mol
LogP3.14
Rot. Bonds8

About (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6671051) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6671051
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCO[C@@H]1OC(C(=O)Nc2ccccc2N)=C[C@H](C(C)C)[C@H]1CCCO
InChIInChI=1S/C20H30N2O4/c1-4-25-20-14(8-7-11-23)15(13(2)3)12-18(26-20)19(24)22-17-10-6-5-9-16(17)21/h5-6,9-10,12-15,20,23H,4,7-8,11,21H2,1-3H3,(H,22,24)/t14-,15-,20-/m1/s1
InChIKeyMYXKDEGJZXPFRJ-STXHMFSFSA-N
XLogP3.14
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6671051) is (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCO[C@@H]1OC(C(=O)Nc2ccccc2N)=C[C@H](C(C)C)[C@H]1CCCO.
What is the InChIKey of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is MYXKDEGJZXPFRJ-STXHMFSFSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-4-25-20-14(8-7-11-23)15(13(2)3)12-18(26-20)19(24)22-17-10-6-5-9-16(17)21/h5-6,9-10,12-15,20,23H,4,7-8,11,21H2,1-3H3,(H,22,24)/t14-,15-,20-/m1/s1.
What are the key properties of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6671051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).