3-amino-N-(3-ethoxypropyl)-5-methylbenzamide

C13H20N2O2 — CID 113396113

IUPAC3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
SMILESCCOCCCNC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-6-4-5-15-13(16)11-7-10(2)8-12(14)9-11/h7-9H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyMBIOQURBVXAFNH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.73
Rot. Bonds6

About 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide

3-amino-N-(3-ethoxypropyl)-5-methylbenzamide (PubChem CID 113396113) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
PubChem CID113396113
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-(3-ethoxypropyl)-5-methylbenzamide
SMILESCCOCCCNC(=O)c1cc(C)cc(N)c1
InChIInChI=1S/C13H20N2O2/c1-3-17-6-4-5-15-13(16)11-7-10(2)8-12(14)9-11/h7-9H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyMBIOQURBVXAFNH-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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-bromo-N-(3-ethoxypropyl)-5-methylbenzamide
CID 104851824
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
3-amino-5-methyl-N-(4-propan-2-yloxybutyl)benzamide
CID 106006167
3-amino-5-bromo-N-(3-propoxypropyl)benzamide
CID 82949916
N-(3-ethoxypropyl)-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 115999862
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-bromo-N-[3-(2-methoxyethoxy)propyl]-5-methylbenzamide
CID 104852499
3-amino-N-(3-butoxypropyl)-5-methoxybenzamide
CID 115597742
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
3-bromo-N-[3-(2-chloroethoxy)propyl]-5-methylbenzamide
CID 114171378
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide (CID 113396113) is 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide is CCOCCCNC(=O)c1cc(C)cc(N)c1.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide?
The InChIKey is MBIOQURBVXAFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-17-6-4-5-15-13(16)11-7-10(2)8-12(14)9-11/h7-9H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide?
3-amino-N-(3-ethoxypropyl)-5-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-5-methylbenzamide is sourced from PubChem (CID 113396113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).