2-amino-N-ethyl-6-methyl-N-propylbenzamide

C13H20N2O — CID 43268247

IUPAC2-amino-N-ethyl-6-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1c(C)cccc1N
InChIInChI=1S/C13H20N2O/c1-4-9-15(5-2)13(16)12-10(3)7-6-8-11(12)14/h6-8H,4-5,9,14H2,1-3H3
InChIKeyIUVZWHWLUIGONV-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.45
Rot. Bonds4

About 2-amino-N-ethyl-6-methyl-N-propylbenzamide

2-amino-N-ethyl-6-methyl-N-propylbenzamide (PubChem CID 43268247) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-ethyl-6-methyl-N-propylbenzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-6-methyl-N-propylbenzamide
PubChem CID43268247
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-ethyl-6-methyl-N-propylbenzamide
SMILESCCCN(CC)C(=O)c1c(C)cccc1N
InChIInChI=1S/C13H20N2O/c1-4-9-15(5-2)13(16)12-10(3)7-6-8-11(12)14/h6-8H,4-5,9,14H2,1-3H3
InChIKeyIUVZWHWLUIGONV-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-ethyl-6-methylbenzamide
CID 63954074
2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-6-methylbenzamide
CID 61106536
2-amino-6-chloro-N-[2-(dimethylamino)ethyl]-N-propylbenzamide
CID 55244149
2-amino-N-(2-hydroxyethyl)-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61113881
2-amino-N,6-dimethyl-N-pentan-3-ylbenzamide
CID 43570574
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-dimethylbenzamide
CID 114026066
2-amino-N,N-dipropylbenzamide
CID 16769117
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
2-amino-N-ethyl-6-methyl-N-pyridin-4-ylbenzamide
CID 106934342
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-amino-N-ethyl-5-methyl-N-propylbenzamide
CID 62511065
3-amino-N-ethyl-2,6-difluoro-N-propylbenzamide
CID 79773079

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-6-methyl-N-propylbenzamide?
The IUPAC name of 2-amino-N-ethyl-6-methyl-N-propylbenzamide (CID 43268247) is 2-amino-N-ethyl-6-methyl-N-propylbenzamide.
What is the SMILES notation for 2-amino-N-ethyl-6-methyl-N-propylbenzamide?
The canonical SMILES for 2-amino-N-ethyl-6-methyl-N-propylbenzamide is CCCN(CC)C(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-ethyl-6-methyl-N-propylbenzamide?
The InChIKey is IUVZWHWLUIGONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-9-15(5-2)13(16)12-10(3)7-6-8-11(12)14/h6-8H,4-5,9,14H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-6-methyl-N-propylbenzamide?
2-amino-N-ethyl-6-methyl-N-propylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-6-methyl-N-propylbenzamide is sourced from PubChem (CID 43268247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).