(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C24H26ClNO4 — CID 23986436

IUPAC(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CC1)C1=C[C@@H](c2ccc(Cl)cc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C24H26ClNO4/c25-21-9-7-19(8-10-21)20-11-22(24(28)26-13-16-1-2-16)30-23(12-20)29-15-18-5-3-17(14-27)4-6-18/h3-11,16,20,23,27H,1-2,12-15H2,(H,26,28)/t20-,23+/m1/s1
InChIKeyGKSUTPBEDGLGST-OFNKIYASSA-N
MW427.93 g/mol
LogP4.29
Rot. Bonds8

About (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 23986436) has the molecular formula C24H26ClNO4 and a molecular weight of 427.93 g/mol. Its IUPAC name is (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID23986436
Molecular FormulaC24H26ClNO4
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC Name(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCC1CC1)C1=C[C@@H](c2ccc(Cl)cc2)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C24H26ClNO4/c25-21-9-7-19(8-10-21)20-11-22(24(28)26-13-16-1-2-16)30-23(12-20)29-15-18-5-3-17(14-27)4-6-18/h3-11,16,20,23,27H,1-2,12-15H2,(H,26,28)/t20-,23+/m1/s1
InChIKeyGKSUTPBEDGLGST-OFNKIYASSA-N
XLogP4.29
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 23986436) is (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCC1CC1)C1=C[C@@H](c2ccc(Cl)cc2)C[C@@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is GKSUTPBEDGLGST-OFNKIYASSA-N. The full InChI is InChI=1S/C24H26ClNO4/c25-21-9-7-19(8-10-21)20-11-22(24(28)26-13-16-1-2-16)30-23(12-20)29-15-18-5-3-17(14-27)4-6-18/h3-11,16,20,23,27H,1-2,12-15H2,(H,26,28)/t20-,23+/m1/s1.
What are the key properties of (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 427.93 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(4-chlorophenyl)-N-(cyclopropylmethyl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 23986436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).