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

C30H36N2O4 — CID 138983503

IUPACN-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
SMILESC=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(N)COCc1ccccc1
InChIInChI=1S/C30H36N2O4/c1-3-28(32-23(2)33)30(36-21-26-17-11-6-12-18-26)29(35-20-25-15-9-5-10-16-25)27(31)22-34-19-24-13-7-4-8-14-24/h3-18,27-30H,1,19-22,31H2,2H3,(H,32,33)/t27?,28?,29-,30?/m1/s1
InChIKeyYDYFDIYKNXKWJJ-JIBVGLSESA-N
MW488.63 g/mol
LogP4.39
Rot. Bonds15

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

N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide (PubChem CID 138983503) has the molecular formula C30H36N2O4 and a molecular weight of 488.63 g/mol. Its IUPAC name is N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide.

Molecular Properties

Compound NameN-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
PubChem CID138983503
Molecular FormulaC30H36N2O4
Molecular Weight488.63 g/mol
Exact Mass488.27
IUPAC NameN-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide
SMILESC=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(N)COCc1ccccc1
InChIInChI=1S/C30H36N2O4/c1-3-28(32-23(2)33)30(36-21-26-17-11-6-12-18-26)29(35-20-25-15-9-5-10-16-25)27(31)22-34-19-24-13-7-4-8-14-24/h3-18,27-30H,1,19-22,31H2,2H3,(H,32,33)/t27?,28?,29-,30?/m1/s1
InChIKeyYDYFDIYKNXKWJJ-JIBVGLSESA-N
XLogP4.39
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.39
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-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The IUPAC name of N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide (CID 138983503) is N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide.
What is the SMILES notation for N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The canonical SMILES for N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide is C=CC(NC(C)=O)C(OCc1ccccc1)[C@H](OCc1ccccc1)C(N)COCc1ccccc1.
What is the InChIKey of N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
The InChIKey is YDYFDIYKNXKWJJ-JIBVGLSESA-N. The full InChI is InChI=1S/C30H36N2O4/c1-3-28(32-23(2)33)30(36-21-26-17-11-6-12-18-26)29(35-20-25-15-9-5-10-16-25)27(31)22-34-19-24-13-7-4-8-14-24/h3-18,27-30H,1,19-22,31H2,2H3,(H,32,33)/t27?,28?,29-,30?/m1/s1.
What are the key properties of N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide?
N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide has a molecular weight of 488.63 g/mol, XLogP of 4.39, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-6-amino-4,5,7-tris(phenylmethoxy)hept-1-en-3-yl]acetamide is sourced from PubChem (CID 138983503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).