2-amino-N-(3-propan-2-yloxypropyl)benzamide

C13H20N2O2 — CID 61249223

IUPAC2-amino-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-5-8-15-13(16)11-6-3-4-7-12(11)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeySZIIANPMXIINGC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds6

About 2-amino-N-(3-propan-2-yloxypropyl)benzamide

2-amino-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 61249223) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID61249223
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O2/c1-10(2)17-9-5-8-15-13(16)11-6-3-4-7-12(11)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeySZIIANPMXIINGC-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 78985192
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2-fluoro-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]benzamide
CID 40628904
2-amino-4-methoxy-N-(4-propan-2-yloxybutyl)benzamide
CID 106011307
2-amino-N-(3-phenylmethoxypropyl)benzamide
CID 43579724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 2-amino-N-(3-propan-2-yloxypropyl)benzamide (CID 61249223) is 2-amino-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 2-amino-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 2-amino-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is SZIIANPMXIINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)17-9-5-8-15-13(16)11-6-3-4-7-12(11)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-propan-2-yloxypropyl)benzamide?
2-amino-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 61249223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).