(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C23H36N2O6 — CID 6668265

IUPAC(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-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]1CCOCCOCCO
InChIInChI=1S/C23H36N2O6/c1-4-30-23-17(9-11-28-13-14-29-12-10-26)18(16(2)3)15-21(31-23)22(27)25-20-8-6-5-7-19(20)24/h5-8,15-18,23,26H,4,9-14,24H2,1-3H3,(H,25,27)/t17-,18-,23-/m1/s1
InChIKeyDCVVYBXNMNDBAC-PMAPCBKXSA-N
MW436.55 g/mol
LogP2.79
Rot. Bonds13

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

(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6668265) has the molecular formula C23H36N2O6 and a molecular weight of 436.55 g/mol. Its IUPAC name is (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6668265
Molecular FormulaC23H36N2O6
Molecular Weight436.55 g/mol
Exact Mass436.26
IUPAC Name(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-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]1CCOCCOCCO
InChIInChI=1S/C23H36N2O6/c1-4-30-23-17(9-11-28-13-14-29-12-10-26)18(16(2)3)15-21(31-23)22(27)25-20-8-6-5-7-19(20)24/h5-8,15-18,23,26H,4,9-14,24H2,1-3H3,(H,25,27)/t17-,18-,23-/m1/s1
InChIKeyDCVVYBXNMNDBAC-PMAPCBKXSA-N
XLogP2.79
TPSA112.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 6668265) is (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-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-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-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]1CCOCCOCCO.
What is the InChIKey of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is DCVVYBXNMNDBAC-PMAPCBKXSA-N. The full InChI is InChI=1S/C23H36N2O6/c1-4-30-23-17(9-11-28-13-14-29-12-10-26)18(16(2)3)15-21(31-23)22(27)25-20-8-6-5-7-19(20)24/h5-8,15-18,23,26H,4,9-14,24H2,1-3H3,(H,25,27)/t17-,18-,23-/m1/s1.
What are the key properties of (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 436.55 g/mol, XLogP of 2.79, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-N-(2-aminophenyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6668265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).