N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide

C27H30N2O3 — CID 1179504

IUPACN-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C27H30N2O3/c1-6-21-11-7-10-18(3)25(21)29-26(30)20(5)32-23-15-13-22(14-16-23)27(31)28-24-12-8-9-17(2)19(24)4/h7-16,20H,6H2,1-5H3,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyCZEIQYUOSGRWGO-FQEVSTJZSA-N
MW430.55 g/mol
LogP5.83
Rot. Bonds7

About N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide

N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 1179504) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
PubChem CID1179504
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
SMILESCCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C27H30N2O3/c1-6-21-11-7-10-18(3)25(21)29-26(30)20(5)32-23-15-13-22(14-16-23)27(31)28-24-12-8-9-17(2)19(24)4/h7-16,20H,6H2,1-5H3,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyCZEIQYUOSGRWGO-FQEVSTJZSA-N
XLogP5.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 3690189
4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxy-N-(2,4,6-trichlorophenyl)benzamide
CID 4055432
4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
CID 1179525
N-(3-chloro-4-methoxyphenyl)-4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 44637774
(2R)-N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 2576276
N-(2-ethyl-6-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 4877561
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
N-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide (CID 1179504) is N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide is CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is CZEIQYUOSGRWGO-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-6-21-11-7-10-18(3)25(21)29-26(30)20(5)32-23-15-13-22(14-16-23)27(31)28-24-12-8-9-17(2)19(24)4/h7-16,20H,6H2,1-5H3,(H,28,31)(H,29,30)/t20-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide?
N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 430.55 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 1179504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).