N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide

C29H34N2O3 — CID 155036707

IUPACN-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESC=C(c1ccccc1)C(NC(=O)COc1c(C)cccc1C)C(O)C[C@@H](N)Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-20-11-10-12-21(2)29(20)34-19-27(33)31-28(22(3)24-15-8-5-9-16-24)26(32)18-25(30)17-23-13-6-4-7-14-23/h4-16,25-26,28,32H,3,17-19,30H2,1-2H3,(H,31,33)/t25-,26?,28?/m0/s1
InChIKeyQCEHIFFMCZQOII-MRNPYCGKSA-N
MW458.60 g/mol
LogP4.20
Rot. Bonds11

About N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide

N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 155036707) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide
PubChem CID155036707
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC NameN-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide
SMILESC=C(c1ccccc1)C(NC(=O)COc1c(C)cccc1C)C(O)C[C@@H](N)Cc1ccccc1
InChIInChI=1S/C29H34N2O3/c1-20-11-10-12-21(2)29(20)34-19-27(33)31-28(22(3)24-15-8-5-9-16-24)26(32)18-25(30)17-23-13-6-4-7-14-23/h4-16,25-26,28,32H,3,17-19,30H2,1-2H3,(H,31,33)/t25-,26?,28?/m0/s1
InChIKeyQCEHIFFMCZQOII-MRNPYCGKSA-N
XLogP4.20
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide with MolForge

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Related Compounds

[1-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]urea
CID 18158810
(2,6-dimethylphenyl) 2-[[(2S,3S,5S)-5-amino-3-hydroxy-1,6-diphenylhexan-2-yl]amino]acetate
CID 71777174
methyl (2R)-2-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 40938621
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
(2S)-1-(2,6-dimethylphenoxy)-3-phenylpropan-2-amine
CID 14796882
benzyl N-[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamate
CID 4935787
N-(2-amino-2-phenylethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 119529545
N-[(2S,3S,5S,7S)-1-amino-5-benzyl-3-hydroxy-8-methyl-6-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-1-phenylnonan-2-yl]-2-(2,6-dimethylphenoxy)acetamide
CID 70248154
N-[(2S)-1-[[(2S,3S,5S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 3010367
N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxyhexan-2-yl]-2-methylpropanamide
CID 22970380
N-[(4S)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide
CID 70317405
N-(4-benzoylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 1020136

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide (CID 155036707) is N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide is C=C(c1ccccc1)C(NC(=O)COc1c(C)cccc1C)C(O)C[C@@H](N)Cc1ccccc1.
What is the InChIKey of N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is QCEHIFFMCZQOII-MRNPYCGKSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-20-11-10-12-21(2)29(20)34-19-27(33)31-28(22(3)24-15-8-5-9-16-24)26(32)18-25(30)17-23-13-6-4-7-14-23/h4-16,25-26,28,32H,3,17-19,30H2,1-2H3,(H,31,33)/t25-,26?,28?/m0/s1.
What are the key properties of N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide?
N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 458.60 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-amino-4-hydroxy-2,7-diphenylhept-1-en-3-yl]-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 155036707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).