N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide

C22H24N2O2 — CID 174308034

IUPACN-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide
SMILESC#Cc1ccccc1CN(C(=O)CCNC(=O)CC)c1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-4-18-11-7-8-12-19(18)16-24(20-13-9-6-10-17(20)3)22(26)14-15-23-21(25)5-2/h1,6-13H,5,14-16H2,2-3H3,(H,23,25)
InChIKeyGZDUQBWQWMDSOX-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.43
Rot. Bonds7

About N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide

N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide (PubChem CID 174308034) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide
PubChem CID174308034
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide
SMILESC#Cc1ccccc1CN(C(=O)CCNC(=O)CC)c1ccccc1C
InChIInChI=1S/C22H24N2O2/c1-4-18-11-7-8-12-19(18)16-24(20-13-9-6-10-17(20)3)22(26)14-15-23-21(25)5-2/h1,6-13H,5,14-16H2,2-3H3,(H,23,25)
InChIKeyGZDUQBWQWMDSOX-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-ethynylphenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]-N'-(2-methylphenyl)butanediamide
CID 166884212
tert-butyl N-[2-[2-[2-[2-[[4-[N-[(2-ethynylphenyl)methyl]-2-methylanilino]-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 166884272
2-(2-aminophenyl)-N-ethyl-N-(2-methylphenyl)acetamide
CID 18070776
3-(N-acetyl-2-methylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113123573
N-[2-(N-dodecanoyl-2-methylanilino)ethyl]-N-(2-methylphenyl)dodecanamide
CID 4038839
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716
3-(N-acetyl-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123546
N-ethyl-N-(2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 3610846
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
N-butyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 78791395

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide?
The IUPAC name of N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide (CID 174308034) is N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide.
What is the SMILES notation for N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide?
The canonical SMILES for N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide is C#Cc1ccccc1CN(C(=O)CCNC(=O)CC)c1ccccc1C.
What is the InChIKey of N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide?
The InChIKey is GZDUQBWQWMDSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-4-18-11-7-8-12-19(18)16-24(20-13-9-6-10-17(20)3)22(26)14-15-23-21(25)5-2/h1,6-13H,5,14-16H2,2-3H3,(H,23,25).
What are the key properties of N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide?
N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide has a molecular weight of 348.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethynylphenyl)methyl]-N-(2-methylphenyl)-3-(propanoylamino)propanamide is sourced from PubChem (CID 174308034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).