4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

C19H23NO3 — CID 126821115

IUPAC4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-18-9-5-15(6-10-18)11-12-20-19(22)17-7-3-16(13-21)4-8-17/h3-10,14,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyXJGOATVYDBRZMX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.94
Rot. Bonds7

About 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 126821115) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID126821115
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccc(CO)cc2)cc1
InChIInChI=1S/C19H23NO3/c1-14(2)23-18-9-5-15(6-10-18)11-12-20-19(22)17-7-3-16(13-21)4-8-17/h3-10,14,21H,11-13H2,1-2H3,(H,20,22)
InChIKeyXJGOATVYDBRZMX-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-methylbenzamide
CID 7997620
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-[2-(4-chlorophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 27646459
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (CID 126821115) is 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1ccc(CCNC(=O)c2ccc(CO)cc2)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is XJGOATVYDBRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(2)23-18-9-5-15(6-10-18)11-12-20-19(22)17-7-3-16(13-21)4-8-17/h3-10,14,21H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 126821115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).