N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide

C18H26N2O3 — CID 94642296

IUPACN-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)20-17(22)14-8-4-5-9-15(14)19-16(21)11-10-13-7-6-12-23-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyXCZWTEFSFYKWDL-ZDUSSCGKSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds5

About N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide

N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide (PubChem CID 94642296) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
PubChem CID94642296
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CC[C@@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c1-18(2,3)20-17(22)14-8-4-5-9-15(14)19-16(21)11-10-13-7-6-12-23-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1
InChIKeyXCZWTEFSFYKWDL-ZDUSSCGKSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclohexylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17321079
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-methyl-3-[3-(oxolan-2-yl)propanoylamino]phenyl]benzamide
CID 87028458
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
3-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-5-yl)propanamide
CID 65154594
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
5-iodo-2-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 63111350

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide?
The IUPAC name of N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide (CID 94642296) is N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide?
The canonical SMILES for N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CC[C@@H]1CCCO1.
What is the InChIKey of N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide?
The InChIKey is XCZWTEFSFYKWDL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2,3)20-17(22)14-8-4-5-9-15(14)19-16(21)11-10-13-7-6-12-23-13/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,19,21)(H,20,22)/t13-/m0/s1.
What are the key properties of N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide?
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide has a molecular weight of 318.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide is sourced from PubChem (CID 94642296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).