3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide

C21H26N2O3 — CID 38580004

IUPAC3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCCOc2ccccc2)cc1C
InChIInChI=1S/C21H26N2O3/c1-16-10-11-18(14-17(16)2)21(25)22-15-20(24)23(3)12-7-13-26-19-8-5-4-6-9-19/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,22,25)
InChIKeyWSVKGJYUPGWGMQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.96
Rot. Bonds8

About 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide (PubChem CID 38580004) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
PubChem CID38580004
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N(C)CCCOc2ccccc2)cc1C
InChIInChI=1S/C21H26N2O3/c1-16-10-11-18(14-17(16)2)21(25)22-15-20(24)23(3)12-7-13-26-19-8-5-4-6-9-19/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,22,25)
InChIKeyWSVKGJYUPGWGMQ-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 27822358
3,4-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108542336
3-fluoro-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 78783855
3-bromo-N-[2-[methyl(2-phenoxyethyl)amino]-2-oxoethyl]benzamide
CID 51161234
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
2-amino-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]acetamide
CID 60944728
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 78822106
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-methyl-N-(3-phenoxypropyl)acetamide
CID 33172341
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9418791

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide (CID 38580004) is 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N(C)CCCOc2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide?
The InChIKey is WSVKGJYUPGWGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-10-11-18(14-17(16)2)21(25)22-15-20(24)23(3)12-7-13-26-19-8-5-4-6-9-19/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,22,25).
What are the key properties of 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 38580004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).