4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide

C19H21NO2 — CID 122557953

IUPAC4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide
SMILESCc1cccc(CC2(NC(=O)c3ccc(CO)cc3)CC2)c1
InChIInChI=1S/C19H21NO2/c1-14-3-2-4-16(11-14)12-19(9-10-19)20-18(22)17-7-5-15(13-21)6-8-17/h2-8,11,21H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyLXRHRWKZGOFKIC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.99
Rot. Bonds5

About 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide

4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide (PubChem CID 122557953) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide
PubChem CID122557953
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide
SMILESCc1cccc(CC2(NC(=O)c3ccc(CO)cc3)CC2)c1
InChIInChI=1S/C19H21NO2/c1-14-3-2-4-16(11-14)12-19(9-10-19)20-18(22)17-7-5-15(13-21)6-8-17/h2-8,11,21H,9-10,12-13H2,1H3,(H,20,22)
InChIKeyLXRHRWKZGOFKIC-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide (CID 122557953) is 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide is Cc1cccc(CC2(NC(=O)c3ccc(CO)cc3)CC2)c1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide?
The InChIKey is LXRHRWKZGOFKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-3-2-4-16(11-14)12-19(9-10-19)20-18(22)17-7-5-15(13-21)6-8-17/h2-8,11,21H,9-10,12-13H2,1H3,(H,20,22).
What are the key properties of 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide?
4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide has a molecular weight of 295.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-[(3-methylphenyl)methyl]cyclopropyl]benzamide is sourced from PubChem (CID 122557953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).