N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide

C18H17NO2 — CID 60804519

IUPACN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2C)ccc1C#CCO
InChIInChI=1S/C18H17NO2/c1-13-6-3-4-8-17(13)18(21)19-16-10-9-15(7-5-11-20)14(2)12-16/h3-4,6,8-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyKVISRKYOIUAUAO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.90
Rot. Bonds2

About N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide

N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide (PubChem CID 60804519) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
PubChem CID60804519
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide
SMILESCc1cc(NC(=O)c2ccccc2C)ccc1C#CCO
InChIInChI=1S/C18H17NO2/c1-13-6-3-4-8-17(13)18(21)19-16-10-9-15(7-5-11-20)14(2)12-16/h3-4,6,8-10,12,20H,11H2,1-2H3,(H,19,21)
InChIKeyKVISRKYOIUAUAO-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 104780566
N-(4-fluoro-3-methylphenyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 62812600
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 60800316
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
CID 60803467
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-2-methylbenzamide
CID 81259426
2-methyl-N-[3-methyl-4-[2-methyl-4-[(2-methylbenzoyl)amino]phenyl]phenyl]benzamide
CID 23908248
1-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-3-propan-2-ylurea
CID 60803087
4-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-1H-pyrrole-2-carboxamide
CID 60805059
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]pyrazine-2-carboxamide
CID 62200861
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-4-methylpentanamide
CID 54922812
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-4-pyridinyl)benzamide
CID 79240557

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide (CID 60804519) is N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide is Cc1cc(NC(=O)c2ccccc2C)ccc1C#CCO.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide?
The InChIKey is KVISRKYOIUAUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-6-3-4-8-17(13)18(21)19-16-10-9-15(7-5-11-20)14(2)12-16/h3-4,6,8-10,12,20H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide?
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]-2-methylbenzamide is sourced from PubChem (CID 60804519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).