N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

C16H24N2O3 — CID 125144559

IUPACN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCCN(C)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-18(4)16(20)14(11(2)3)17-15(19)12-8-7-9-13(10-12)21-5/h7-11,14H,6H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyMTQXISUASDDIMN-AWEZNQCLSA-N
MW292.38 g/mol
LogP1.93
Rot. Bonds6

About N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide

N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (PubChem CID 125144559) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
PubChem CID125144559
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
SMILESCCN(C)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-6-18(4)16(20)14(11(2)3)17-15(19)12-8-7-9-13(10-12)21-5/h7-11,14H,6H2,1-5H3,(H,17,19)/t14-/m0/s1
InChIKeyMTQXISUASDDIMN-AWEZNQCLSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide 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-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31284995
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-[1-(4-chlorophenyl)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 86292915
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51155127
N-[1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 51147840
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[1-(furan-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide
CID 42704052
N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 32959766
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide (CID 125144559) is N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is CCN(C)C(=O)[C@@H](NC(=O)c1cccc(OC)c1)C(C)C.
What is the InChIKey of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
The InChIKey is MTQXISUASDDIMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-6-18(4)16(20)14(11(2)3)17-15(19)12-8-7-9-13(10-12)21-5/h7-11,14H,6H2,1-5H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide?
N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[ethyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 125144559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).