N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide

C19H23NO3 — CID 111102702

IUPACN-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-11-23-18-10-6-9-16(13-18)19(22)20-14-17(21)12-15-7-4-3-5-8-15/h3-10,13,17,21H,2,11-12,14H2,1H3,(H,20,22)
InChIKeyBLQRKAXCJSCXPD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.81
Rot. Bonds8

About N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide

N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide (PubChem CID 111102702) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
PubChem CID111102702
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCC(O)Cc2ccccc2)c1
InChIInChI=1S/C19H23NO3/c1-2-11-23-18-10-6-9-16(13-18)19(22)20-14-17(21)12-15-7-4-3-5-8-15/h3-10,13,17,21H,2,11-12,14H2,1H3,(H,20,22)
InChIKeyBLQRKAXCJSCXPD-UHFFFAOYSA-N
XLogP2.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-cyano-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765259
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
N-(3-amino-2-methylpropyl)-3-propoxybenzamide;hydrochloride
CID 119997780
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
CID 111112837
N-(2-chloro-4-methylpentyl)-3-propoxybenzamide
CID 107157243
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide
CID 44530434

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide (CID 111102702) is N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)NCC(O)Cc2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide?
The InChIKey is BLQRKAXCJSCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-11-23-18-10-6-9-16(13-18)19(22)20-14-17(21)12-15-7-4-3-5-8-15/h3-10,13,17,21H,2,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide?
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide is sourced from PubChem (CID 111102702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).