N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide

C20H23NO4 — CID 1362819

IUPACN-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-13(2)21-20(23)15-8-6-14(7-9-15)19(22)17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeySESINURFGFXWSH-ZDUSSCGKSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds7

About N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide

N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide (PubChem CID 1362819) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
PubChem CID1362819
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide
SMILESCC[C@H](C)NC(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H23NO4/c1-5-13(2)21-20(23)15-8-6-14(7-9-15)19(22)17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H,21,23)/t13-/m0/s1
InChIKeySESINURFGFXWSH-ZDUSSCGKSA-N
XLogP3.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-butan-2-yl-1-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109044149
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 112510921
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-[(2R)-butan-2-yl]-3-iodo-4-methoxybenzamide
CID 41370948
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
3-amino-N-[(2S)-butan-2-yl]-4-methoxybenzamide
CID 28690052
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
N-butan-2-yl-4-methoxy-3-(methoxymethyl)benzamide
CID 133179091
N-butan-2-yl-4-(2-methoxyethoxy)benzamide
CID 17137424
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N-(4-benzamido-2,5-diethoxyphenyl)-4-(2,5-dimethoxybenzoyl)benzamide
CID 4025593

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide (CID 1362819) is N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide is CC[C@H](C)NC(=O)c1ccc(C(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide?
The InChIKey is SESINURFGFXWSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-13(2)21-20(23)15-8-6-14(7-9-15)19(22)17-12-16(24-3)10-11-18(17)25-4/h6-13H,5H2,1-4H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide?
N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-(2,5-dimethoxybenzoyl)benzamide is sourced from PubChem (CID 1362819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).