N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

C26H34ClN3O4 — CID 67305328

IUPACN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(OC(C)C)cc21
InChIInChI=1S/C26H34ClN3O4/c1-16(2)33-20-12-21-23(13-26(9-4-10-26)34-25(21)29-14-20)28-15-24(32)22(30-17(3)31)11-18-5-7-19(27)8-6-18/h5-8,12,14,16,22-24,28,32H,4,9-11,13,15H2,1-3H3,(H,30,31)/t22-,23-,24+/m0/s1
InChIKeyNCTMZMJAVRHRCC-KMDXXIMOSA-N
MW488.03 g/mol
LogP3.97
Rot. Bonds9

About N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide

N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (PubChem CID 67305328) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
PubChem CID67305328
Molecular FormulaC26H34ClN3O4
Molecular Weight488.03 g/mol
Exact Mass487.22
IUPAC NameN-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(OC(C)C)cc21
InChIInChI=1S/C26H34ClN3O4/c1-16(2)33-20-12-21-23(13-26(9-4-10-26)34-25(21)29-14-20)28-15-24(32)22(30-17(3)31)11-18-5-7-19(27)8-6-18/h5-8,12,14,16,22-24,28,32H,4,9-11,13,15H2,1-3H3,(H,30,31)/t22-,23-,24+/m0/s1
InChIKeyNCTMZMJAVRHRCC-KMDXXIMOSA-N
XLogP3.97
TPSA92.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide (CID 67305328) is N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccc(Cl)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(OC(C)C)cc21.
What is the InChIKey of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
The InChIKey is NCTMZMJAVRHRCC-KMDXXIMOSA-N. The full InChI is InChI=1S/C26H34ClN3O4/c1-16(2)33-20-12-21-23(13-26(9-4-10-26)34-25(21)29-14-20)28-15-24(32)22(30-17(3)31)11-18-5-7-19(27)8-6-18/h5-8,12,14,16,22-24,28,32H,4,9-11,13,15H2,1-3H3,(H,30,31)/t22-,23-,24+/m0/s1.
What are the key properties of N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide?
N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide has a molecular weight of 488.03 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-1-(4-chlorophenyl)-3-hydroxy-4-[[(4S)-6-propan-2-yloxyspiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 67305328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).