N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide

C17H19NO3 — CID 90499517

IUPACN-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-21-15-9-5-8-14(12-15)17(20)18-11-10-16(19)13-6-3-2-4-7-13/h2-9,12,16,19H,10-11H2,1H3,(H,18,20)
InChIKeySDMJWYUEHOMVEZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.55
Rot. Bonds6

About N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide

N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide (PubChem CID 90499517) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
PubChem CID90499517
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCC(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO3/c1-21-15-9-5-8-14(12-15)17(20)18-11-10-16(19)13-6-3-2-4-7-13/h2-9,12,16,19H,10-11H2,1H3,(H,18,20)
InChIKeySDMJWYUEHOMVEZ-UHFFFAOYSA-N
XLogP2.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(furan-3-yl)-3-hydroxypropyl]-3-methoxybenzamide
CID 121132736
3-cyano-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 90499508
N-[(3R)-3-hydroxy-3-phenylpropyl]-3-(propan-2-ylamino)benzamide
CID 95787778
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-methoxy-N-[2-[(3-methyl-2-phenylpentanoyl)amino]ethyl]benzamide
CID 78846238
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-(3-bromo-4-methoxybutyl)-3-methoxybenzamide
CID 114163322
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
3-methoxy-N-[2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 111342317

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide (CID 90499517) is N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide is COc1cccc(C(=O)NCCC(O)c2ccccc2)c1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide?
The InChIKey is SDMJWYUEHOMVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-21-15-9-5-8-14(12-15)17(20)18-11-10-16(19)13-6-3-2-4-7-13/h2-9,12,16,19H,10-11H2,1H3,(H,18,20).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide?
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 90499517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).