N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide

C19H22N2O3 — CID 8698425

IUPACN,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13-6-5-7-17(12-13)24-14(2)18(22)20-16-10-8-15(9-11-16)19(23)21(3)4/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyADZSXAALKGQDHU-CQSZACIVSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds5

About N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide

N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide (PubChem CID 8698425) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
PubChem CID8698425
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1
InChIInChI=1S/C19H22N2O3/c1-13-6-5-7-17(12-13)24-14(2)18(22)20-16-10-8-15(9-11-16)19(23)21(3)4/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyADZSXAALKGQDHU-CQSZACIVSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate
CID 2397766
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide (CID 8698425) is N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide is Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)N(C)C)cc2)c1.
What is the InChIKey of N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
The InChIKey is ADZSXAALKGQDHU-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-6-5-7-17(12-13)24-14(2)18(22)20-16-10-8-15(9-11-16)19(23)21(3)4/h5-12,14H,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide?
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 8698425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).