3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride

C12H19ClN2O — CID 119705659

IUPAC3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCN(C(=O)c1cccc(N)c1)C(C)C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4,13H2,1-3H3;1H
InChIKeyKXCIBNXIAZFIKK-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.56
Rot. Bonds3

About 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride

3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 119705659) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID119705659
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCCN(C(=O)c1cccc(N)c1)C(C)C.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4,13H2,1-3H3;1H
InChIKeyKXCIBNXIAZFIKK-UHFFFAOYSA-N
XLogP2.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.56
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

3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
ethyl 2-[(3-aminobenzoyl)-propan-2-ylamino]acetate
CID 54915824
3-amino-N-(2-cyanoethyl)-N-propan-2-ylbenzamide
CID 43575153
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
3-amino-4-chloro-N-ethyl-N-propan-2-ylbenzamide
CID 43265294
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
4-(3-aminobenzoyl)-N-ethyl-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 91660697
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
3-amino-N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119785651

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride (CID 119705659) is 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride is CCN(C(=O)c1cccc(N)c1)C(C)C.Cl.
What is the InChIKey of 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is KXCIBNXIAZFIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4,13H2,1-3H3;1H.
What are the key properties of 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride?
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 119705659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).