N-[(2R)-butan-2-yl]-4-ethoxybenzamide

C13H19NO2 — CID 721844

IUPACN-[(2R)-butan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-10(3)14-13(15)11-6-8-12(9-7-11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyLPVBWNAKEBOUAL-SNVBAGLBSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds5

About N-[(2R)-butan-2-yl]-4-ethoxybenzamide

N-[(2R)-butan-2-yl]-4-ethoxybenzamide (PubChem CID 721844) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-ethoxybenzamide
PubChem CID721844
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(2R)-butan-2-yl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)CC)cc1
InChIInChI=1S/C13H19NO2/c1-4-10(3)14-13(15)11-6-8-12(9-7-11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m1/s1
InChIKeyLPVBWNAKEBOUAL-SNVBAGLBSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
N-[(2S)-butan-2-yl]-4-(2-methylpropoxy)benzamide
CID 41370977
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-butan-2-yl-4-(2-phenoxyethoxy)benzamide
CID 17137407
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
4-amino-N-butan-2-ylbenzamide
CID 3503917

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-ethoxybenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-ethoxybenzamide (CID 721844) is N-[(2R)-butan-2-yl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-ethoxybenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-ethoxybenzamide is CCOc1ccc(C(=O)N[C@H](C)CC)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-ethoxybenzamide?
The InChIKey is LPVBWNAKEBOUAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(3)14-13(15)11-6-8-12(9-7-11)16-5-2/h6-10H,4-5H2,1-3H3,(H,14,15)/t10-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-ethoxybenzamide?
N-[(2R)-butan-2-yl]-4-ethoxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-ethoxybenzamide is sourced from PubChem (CID 721844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).