N-propan-2-yl-3-propan-2-yloxybenzamide

C13H19NO2 — CID 8779048

IUPACN-propan-2-yl-3-propan-2-yloxybenzamide
SMILESCC(C)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14-13(15)11-6-5-7-12(8-11)16-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyIKPBTVBOVSXOOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.61
Rot. Bonds4

About N-propan-2-yl-3-propan-2-yloxybenzamide

N-propan-2-yl-3-propan-2-yloxybenzamide (PubChem CID 8779048) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-propan-2-yl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-propan-2-yl-3-propan-2-yloxybenzamide
PubChem CID8779048
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-propan-2-yl-3-propan-2-yloxybenzamide
SMILESCC(C)NC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C13H19NO2/c1-9(2)14-13(15)11-6-5-7-12(8-11)16-10(3)4/h5-10H,1-4H3,(H,14,15)
InChIKeyIKPBTVBOVSXOOT-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
CID 66615112
CID 66615112
3-methoxy-N-[[(3-methoxybenzoyl)amino]-(4-propan-2-yloxyphenyl)methyl]benzamide
CID 18839415
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-propan-2-yloxybenzamide
CID 107866608
N-(1-cyanobutyl)-3-propan-2-yloxybenzamide
CID 62921514
4-methoxy-2-[(3-propan-2-yloxybenzoyl)amino]butanoic acid
CID 62921331
3-(4-fluorophenoxy)-N-propan-2-ylbenzamide
CID 12941904
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-propan-2-yloxybenzamide?
The IUPAC name of N-propan-2-yl-3-propan-2-yloxybenzamide (CID 8779048) is N-propan-2-yl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-propan-2-yl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-propan-2-yl-3-propan-2-yloxybenzamide is CC(C)NC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-propan-2-yl-3-propan-2-yloxybenzamide?
The InChIKey is IKPBTVBOVSXOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)14-13(15)11-6-5-7-12(8-11)16-10(3)4/h5-10H,1-4H3,(H,14,15).
What are the key properties of N-propan-2-yl-3-propan-2-yloxybenzamide?
N-propan-2-yl-3-propan-2-yloxybenzamide has a molecular weight of 221.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-propan-2-yloxybenzamide is sourced from PubChem (CID 8779048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).