4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

C18H28N2O3 — CID 94667266

IUPAC4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCO[C@@H](CC)C(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-6-16(23-7-2)17(21)19-12-14-8-10-15(11-9-14)18(22)20(5)13(3)4/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyAEXZNGUVYGJQNX-INIZCTEOSA-N
MW320.43 g/mol
LogP2.60
Rot. Bonds8

About 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 94667266) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID94667266
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCCO[C@@H](CC)C(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-6-16(23-7-2)17(21)19-12-14-8-10-15(11-9-14)18(22)20(5)13(3)4/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1
InChIKeyAEXZNGUVYGJQNX-INIZCTEOSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
4-[[[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55611901
N-methyl-N-propan-2-yl-4-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]benzamide
CID 55760436
4-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 75467563
4-[(2-phenoxybutanoylamino)methyl]benzoic acid
CID 17171934
4-[[[4-(butylsulfonylamino)benzoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 38585146
4-[[2-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55740403
4-[[2-(4-chlorophenoxy)ethylcarbamoylamino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55740134
4-[[[(2S)-2-aminopropanoyl]amino]methyl]-N,N-diethylbenzamide
CID 119283561
2-[[4-(acetamidomethyl)benzoyl]-methylamino]propanoic acid
CID 62626378
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (CID 94667266) is 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is CCO[C@@H](CC)C(=O)NCc1ccc(C(=O)N(C)C(C)C)cc1.
What is the InChIKey of 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is AEXZNGUVYGJQNX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-16(23-7-2)17(21)19-12-14-8-10-15(11-9-14)18(22)20(5)13(3)4/h8-11,13,16H,6-7,12H2,1-5H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 320.43 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-2-ethoxybutanoyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 94667266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).