N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide

C22H29NO3 — CID 99790743

IUPACN-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)N[C@@H](CO)Cc2ccccc2C)c1
InChIInChI=1S/C22H29NO3/c1-17-8-7-11-21(14-17)26-13-6-5-12-22(25)23-20(16-24)15-19-10-4-3-9-18(19)2/h3-4,7-11,14,20,24H,5-6,12-13,15-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyVEDBOLWQJLNCOG-HXUWFJFHSA-N
MW355.48 g/mol
LogP3.57
Rot. Bonds10

About N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide

N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide (PubChem CID 99790743) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide
PubChem CID99790743
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide
SMILESCc1cccc(OCCCCC(=O)N[C@@H](CO)Cc2ccccc2C)c1
InChIInChI=1S/C22H29NO3/c1-17-8-7-11-21(14-17)26-13-6-5-12-22(25)23-20(16-24)15-19-10-4-3-9-18(19)2/h3-4,7-11,14,20,24H,5-6,12-13,15-16H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyVEDBOLWQJLNCOG-HXUWFJFHSA-N
XLogP3.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxybutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 43390335
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 103798718
2-(2,5-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 124846044
5-(3-methylphenoxy)-N-[(1R)-1-pyridin-4-ylpropyl]pentanamide
CID 95776404
5-(3-methylphenoxy)-N-prop-2-ynylpentanamide
CID 60584237
(2S,3R)-3-hydroxy-2-[4-(3-methylphenoxy)butanoylamino]butanoic acid
CID 104965093
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-4-(2-methylphenoxy)butanamide
CID 99780561
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-methylphenyl)acetamide
CID 102673740
N-(1,3-dihydroxypropan-2-yl)-2-(3-methylphenoxy)propanamide
CID 65315418
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide?
The IUPAC name of N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide (CID 99790743) is N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide?
The canonical SMILES for N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide is Cc1cccc(OCCCCC(=O)N[C@@H](CO)Cc2ccccc2C)c1.
What is the InChIKey of N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide?
The InChIKey is VEDBOLWQJLNCOG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17-8-7-11-21(14-17)26-13-6-5-12-22(25)23-20(16-24)15-19-10-4-3-9-18(19)2/h3-4,7-11,14,20,24H,5-6,12-13,15-16H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide?
N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide has a molecular weight of 355.48 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-3-(2-methylphenyl)propan-2-yl]-5-(3-methylphenoxy)pentanamide is sourced from PubChem (CID 99790743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).