N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide

C17H26N2O2 — CID 42579564

IUPACN-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1cccc(C(=O)N[C@H](C)CC)c1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-11-16(20)19-15-10-8-9-14(12-15)17(21)18-13(3)5-2/h8-10,12-13H,4-7,11H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyLFXXFHRIVKZIBD-CYBMUJFWSA-N
MW290.41 g/mol
LogP3.73
Rot. Bonds8

About N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide

N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide (PubChem CID 42579564) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
PubChem CID42579564
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1cccc(C(=O)N[C@H](C)CC)c1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-11-16(20)19-15-10-8-9-14(12-15)17(21)18-13(3)5-2/h8-10,12-13H,4-7,11H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1
InChIKeyLFXXFHRIVKZIBD-CYBMUJFWSA-N
XLogP3.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-(hexanoylcarbamothioylamino)benzamide
CID 17199239
N-butan-2-yl-3-(pentanoylcarbamothioylamino)benzamide
CID 17199208
N-butan-2-yl-4-[[2-[3-(hexanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54836855
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
CID 54791898
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
3-(heptanoylamino)benzamide
CID 54789184
3-(hexanoylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197737
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide (CID 42579564) is N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide is CCCCCC(=O)Nc1cccc(C(=O)N[C@H](C)CC)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide?
The InChIKey is LFXXFHRIVKZIBD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-7-11-16(20)19-15-10-8-9-14(12-15)17(21)18-13(3)5-2/h8-10,12-13H,4-7,11H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide?
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide is sourced from PubChem (CID 42579564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).