3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide

C17H27NO3 — CID 59910538

IUPAC3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1OCC
InChIInChI=1S/C17H27NO3/c1-6-20-15-9-8-14(11-16(15)21-7-2)17(19)18-13(5)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyOLXUGHFULRJHKO-ZDUSSCGKSA-N
MW293.41 g/mol
LogP3.65
Rot. Bonds8

About 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide

3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide (PubChem CID 59910538) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
PubChem CID59910538
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1OCC
InChIInChI=1S/C17H27NO3/c1-6-20-15-9-8-14(11-16(15)21-7-2)17(19)18-13(5)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyOLXUGHFULRJHKO-ZDUSSCGKSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
N-(1-cyanopropan-2-yl)-3,4-diethoxybenzamide
CID 47087147
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N-[(2S)-1-aminopropan-2-yl]-3-ethoxy-4-propoxybenzamide
CID 120504957
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3,4-diethoxybenzamide
CID 70989891
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide (CID 59910538) is 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@@H](C)CC(C)C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide?
The InChIKey is OLXUGHFULRJHKO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-20-15-9-8-14(11-16(15)21-7-2)17(19)18-13(5)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide?
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide has a molecular weight of 293.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide is sourced from PubChem (CID 59910538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).