N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide

C14H21NO3 — CID 94335981

IUPACN-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)CC)ccc1OC
InChIInChI=1S/C14H21NO3/c1-5-10(3)15-14(16)11-7-8-12(17-4)13(9-11)18-6-2/h7-10H,5-6H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyUOZRHAXLENACOU-JTQLQIEISA-N
MW251.33 g/mol
LogP2.62
Rot. Bonds6

About N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide

N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide (PubChem CID 94335981) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
PubChem CID94335981
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)CC)ccc1OC
InChIInChI=1S/C14H21NO3/c1-5-10(3)15-14(16)11-7-8-12(17-4)13(9-11)18-6-2/h7-10H,5-6H2,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyUOZRHAXLENACOU-JTQLQIEISA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
(2S)-2-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137510
3-ethoxy-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 43418103
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
3-ethoxy-4-methoxy-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38607050
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide (CID 94335981) is N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)N[C@@H](C)CC)ccc1OC.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide?
The InChIKey is UOZRHAXLENACOU-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-10(3)15-14(16)11-7-8-12(17-4)13(9-11)18-6-2/h7-10H,5-6H2,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide?
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 94335981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).