N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide

C30H35NO5 — CID 138983501

IUPACN-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
SMILESC=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C30H35NO5/c1-3-27(31-23(2)32)29(35-20-25-15-9-5-10-16-25)30(36-21-26-17-11-6-12-18-26)28(33)22-34-19-24-13-7-4-8-14-24/h3-18,27-30,33H,1,19-22H2,2H3,(H,31,32)/t27?,28?,29?,30-/m1/s1
InChIKeyNMXVSQMQVBRBMT-VXBYCJGMSA-N
MW489.61 g/mol
LogP4.43
Rot. Bonds15

About N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide

N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide (PubChem CID 138983501) has the molecular formula C30H35NO5 and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
PubChem CID138983501
Molecular FormulaC30H35NO5
Molecular Weight489.61 g/mol
Exact Mass489.25
IUPAC NameN-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
SMILESC=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1
InChIInChI=1S/C30H35NO5/c1-3-27(31-23(2)32)29(35-20-25-15-9-5-10-16-25)30(36-21-26-17-11-6-12-18-26)28(33)22-34-19-24-13-7-4-8-14-24/h3-18,27-30,33H,1,19-22H2,2H3,(H,31,32)/t27?,28?,29?,30-/m1/s1
InChIKeyNMXVSQMQVBRBMT-VXBYCJGMSA-N
XLogP4.43
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The IUPAC name of N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide (CID 138983501) is N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The canonical SMILES for N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide is C=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(O)COCc1ccccc1.
What is the InChIKey of N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The InChIKey is NMXVSQMQVBRBMT-VXBYCJGMSA-N. The full InChI is InChI=1S/C30H35NO5/c1-3-27(31-23(2)32)29(35-20-25-15-9-5-10-16-25)30(36-21-26-17-11-6-12-18-26)28(33)22-34-19-24-13-7-4-8-14-24/h3-18,27-30,33H,1,19-22H2,2H3,(H,31,32)/t27?,28?,29?,30-/m1/s1.
What are the key properties of N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide has a molecular weight of 489.61 g/mol, XLogP of 4.43, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-6-hydroxy-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide is sourced from PubChem (CID 138983501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).