(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide

C26H29NO4 — CID 11729459

IUPAC(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
SMILESCOc1ccc(NC(=O)[C@H](CCCc2ccccc2)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO4/c1-30-22-15-11-20(12-16-22)25(28)24(10-6-9-19-7-4-3-5-8-19)26(29)27-21-13-17-23(31-2)18-14-21/h3-5,7-8,11-18,24-25,28H,6,9-10H2,1-2H3,(H,27,29)/t24-,25+/m1/s1
InChIKeyCIPKFMODNOTPLE-RPBOFIJWSA-N
MW419.52 g/mol
LogP5.01
Rot. Bonds10

About (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide

(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide (PubChem CID 11729459) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
PubChem CID11729459
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
SMILESCOc1ccc(NC(=O)[C@H](CCCc2ccccc2)[C@@H](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H29NO4/c1-30-22-15-11-20(12-16-22)25(28)24(10-6-9-19-7-4-3-5-8-19)26(29)27-21-13-17-23(31-2)18-14-21/h3-5,7-8,11-18,24-25,28H,6,9-10H2,1-2H3,(H,27,29)/t24-,25+/m1/s1
InChIKeyCIPKFMODNOTPLE-RPBOFIJWSA-N
XLogP5.01
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2,3-dihydroxy-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 11087415
(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538151
3-[hydroxy(phenyl)methyl]-6-phenylhexan-2-one
CID 139254931
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
(2S)-2-amino-N-[4-(4-fluorophenoxy)phenyl]-5-phenylpentanamide
CID 67009207
4-amino-N-(4-methoxyphenyl)-6-phenylhex-2-enamide
CID 77352806
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
5-(4-methoxyphenyl)-2-phenylpentanoic acid
CID 81008725
ethane;(2R)-N,2,5-triphenylpentanamide;(2S)-N,2,5-triphenylpentanamide
CID 160944914
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
CID 129145601
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
CID 11777634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide?
The IUPAC name of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide (CID 11729459) is (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide.
What is the SMILES notation for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide?
The canonical SMILES for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide is COc1ccc(NC(=O)[C@H](CCCc2ccccc2)[C@@H](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide?
The InChIKey is CIPKFMODNOTPLE-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H29NO4/c1-30-22-15-11-20(12-16-22)25(28)24(10-6-9-19-7-4-3-5-8-19)26(29)27-21-13-17-23(31-2)18-14-21/h3-5,7-8,11-18,24-25,28H,6,9-10H2,1-2H3,(H,27,29)/t24-,25+/m1/s1.
What are the key properties of (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide?
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide has a molecular weight of 419.52 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide is sourced from PubChem (CID 11729459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).