N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

C23H30N2O4 — CID 31284995

IUPACN-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-16(2)21(24-22(26)18-8-6-7-17(3)15-18)23(27)25(4)13-14-29-20-11-9-19(28-5)10-12-20/h6-12,15-16,21H,13-14H2,1-5H3,(H,24,26)/t21-/m0/s1
InChIKeyHTLVHJVLMLLWOV-NRFANRHFSA-N
MW398.50 g/mol
LogP3.30
Rot. Bonds9

About N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide

N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (PubChem CID 31284995) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
PubChem CID31284995
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc1
InChIInChI=1S/C23H30N2O4/c1-16(2)21(24-22(26)18-8-6-7-17(3)15-18)23(27)25(4)13-14-29-20-11-9-19(28-5)10-12-20/h6-12,15-16,21H,13-14H2,1-5H3,(H,24,26)/t21-/m0/s1
InChIKeyHTLVHJVLMLLWOV-NRFANRHFSA-N
XLogP3.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 125144559
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119657822
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
2-(3-methylphenoxy)ethyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568511
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
CID 18119674
4-fluoro-N-[1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55897590
N'-[4-(2-methoxyethoxy)benzoyl]-3-methylbenzohydrazide
CID 17353579
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide (CID 31284995) is N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is COc1ccc(OCCN(C)C(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)cc1.
What is the InChIKey of N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
The InChIKey is HTLVHJVLMLLWOV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)21(24-22(26)18-8-6-7-17(3)15-18)23(27)25(4)13-14-29-20-11-9-19(28-5)10-12-20/h6-12,15-16,21H,13-14H2,1-5H3,(H,24,26)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide?
N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 31284995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).