3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

C20H24N2O3 — CID 108542336

IUPAC3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1C
InChIInChI=1S/C20H24N2O3/c1-15-8-9-17(14-16(15)2)20(24)22-12-11-21-19(23)10-13-25-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKHZRVIMHNYKYNI-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.62
Rot. Bonds8

About 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide

3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (PubChem CID 108542336) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
PubChem CID108542336
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1C
InChIInChI=1S/C20H24N2O3/c1-15-8-9-17(14-16(15)2)20(24)22-12-11-21-19(23)10-13-25-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKHZRVIMHNYKYNI-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 35350696
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
[3-[2-(3-phenoxypropanoylamino)ethylcarbamoyl]phenyl] acetate
CID 108537486
3-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541759
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
N-[2-(butanoylamino)ethyl]-3,4-dimethylbenzamide
CID 108574738
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
2-methyl-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108541769
3-fluoro-N-[2-(3-methoxypropanoylamino)ethyl]-4-methylbenzamide
CID 51108496

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide (CID 108542336) is 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CCOc2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
The InChIKey is KHZRVIMHNYKYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-9-17(14-16(15)2)20(24)22-12-11-21-19(23)10-13-25-18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide?
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide is sourced from PubChem (CID 108542336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).