N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide

C13H18N2O2 — CID 62920503

IUPACN-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC2CC2N)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)17-10-5-3-4-9(6-10)13(16)15-12-7-11(12)14/h3-6,8,11-12H,7,14H2,1-2H3,(H,15,16)
InChIKeyGRWVXMDPNPWJPJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds4

About N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide

N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide (PubChem CID 62920503) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide
PubChem CID62920503
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)NC2CC2N)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)17-10-5-3-4-9(6-10)13(16)15-12-7-11(12)14/h3-6,8,11-12H,7,14H2,1-2H3,(H,15,16)
InChIKeyGRWVXMDPNPWJPJ-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
(2-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116579945
methyl 3-methyl-2-[(3-propan-2-yloxybenzoyl)amino]butanoate
CID 62919485
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62921355
3-propan-2-yloxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17249842
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
N-[(2-chlorocyclohexyl)methyl]-3-propan-2-yloxybenzamide
CID 114301436
3-(difluoromethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 51537876
azetidin-3-yl-(3-propan-2-yloxyphenyl)methanone
CID 116583790
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide (CID 62920503) is N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)NC2CC2N)c1.
What is the InChIKey of N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide?
The InChIKey is GRWVXMDPNPWJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)17-10-5-3-4-9(6-10)13(16)15-12-7-11(12)14/h3-6,8,11-12H,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide?
N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 62920503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).