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

C14H22N2O2 — CID 78985192

IUPAC3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-9-5-8-16-14(17)12-6-4-7-13(15)11(12)3/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyFHVOPDSOZVDZQL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.12
Rot. Bonds6

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

3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 78985192) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID78985192
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
SMILESCc1c(N)cccc1C(=O)NCCCOC(C)C
InChIInChI=1S/C14H22N2O2/c1-10(2)18-9-5-8-16-14(17)12-6-4-7-13(15)11(12)3/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17)
InChIKeyFHVOPDSOZVDZQL-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.12
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-(2-propan-2-yloxyethyl)benzamide
CID 113449772
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
2,3-difluoro-N-(3-propan-2-yloxypropyl)benzamide
CID 62662327
2-amino-3-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006227
2-amino-3-chloro-N-(3-propan-2-yloxypropyl)benzamide
CID 82546908
5-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 120616939
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
2,4,5-trimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 100709096
2-amino-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 114137448
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
4,5-dimethyl-N-(3-propan-2-yloxypropyl)thiophene-3-carboxamide
CID 84558066

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide (CID 78985192) is 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide is Cc1c(N)cccc1C(=O)NCCCOC(C)C.
What is the InChIKey of 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is FHVOPDSOZVDZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)18-9-5-8-16-14(17)12-6-4-7-13(15)11(12)3/h4,6-7,10H,5,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide?
3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 78985192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).