2-amino-N-butan-2-yl-N-ethylbenzamide

C13H20N2O — CID 43274061

IUPAC2-amino-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-4-10(3)15(5-2)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3
InChIKeyFQFAXFXGMDUBBS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-N-butan-2-yl-N-ethylbenzamide

2-amino-N-butan-2-yl-N-ethylbenzamide (PubChem CID 43274061) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-amino-N-butan-2-yl-N-ethylbenzamide.

Molecular Properties

Compound Name2-amino-N-butan-2-yl-N-ethylbenzamide
PubChem CID43274061
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-amino-N-butan-2-yl-N-ethylbenzamide
SMILESCCC(C)N(CC)C(=O)c1ccccc1N
InChIInChI=1S/C13H20N2O/c1-4-10(3)15(5-2)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3
InChIKeyFQFAXFXGMDUBBS-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
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-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
3-amino-N-butan-2-yl-N-ethylpyridine-2-carboxamide
CID 104741017
2-amino-N-tert-butyl-N-ethylbenzamide
CID 15894058
2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
3-[ethyl-(2-hydroxybenzoyl)amino]butanoic acid
CID 62821545
2-amino-N-methyl-N-propan-2-ylbenzamide
CID 16783285
2,4-dibromo-N-butan-2-yl-N-ethylbenzamide
CID 107951577
3-amino-N-butan-2-yl-N-butyl-2-chlorobenzamide
CID 112575515
2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 96531857
2-amino-N,N-dipropylbenzamide
CID 16769117
2-amino-N,N-dipropylbenzamide;hydrochloride
CID 119943594
2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]benzamide;dihydrochloride
CID 119946988

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butan-2-yl-N-ethylbenzamide?
The IUPAC name of 2-amino-N-butan-2-yl-N-ethylbenzamide (CID 43274061) is 2-amino-N-butan-2-yl-N-ethylbenzamide.
What is the SMILES notation for 2-amino-N-butan-2-yl-N-ethylbenzamide?
The canonical SMILES for 2-amino-N-butan-2-yl-N-ethylbenzamide is CCC(C)N(CC)C(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-butan-2-yl-N-ethylbenzamide?
The InChIKey is FQFAXFXGMDUBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-10(3)15(5-2)13(16)11-8-6-7-9-12(11)14/h6-10H,4-5,14H2,1-3H3.
What are the key properties of 2-amino-N-butan-2-yl-N-ethylbenzamide?
2-amino-N-butan-2-yl-N-ethylbenzamide has a molecular weight of 220.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butan-2-yl-N-ethylbenzamide is sourced from PubChem (CID 43274061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).