5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide

C14H21N3O — CID 61095548

IUPAC5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1N(C)C)C1CC1
InChIInChI=1S/C14H21N3O/c1-4-17(11-6-7-11)14(18)12-9-10(15)5-8-13(12)16(2)3/h5,8-9,11H,4,6-7,15H2,1-3H3
InChIKeyRRXLIUKALJJGDP-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.96
Rot. Bonds4

About 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide

5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide (PubChem CID 61095548) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
PubChem CID61095548
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1N(C)C)C1CC1
InChIInChI=1S/C14H21N3O/c1-4-17(11-6-7-11)14(18)12-9-10(15)5-8-13(12)16(2)3/h5,8-9,11H,4,6-7,15H2,1-3H3
InChIKeyRRXLIUKALJJGDP-UHFFFAOYSA-N
XLogP1.96
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 5-amino-2-(dimethylamino)benzoate
CID 61489001
5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
CID 107183529
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzamide
CID 16787456
5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-2-(dimethylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 61102706
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
CID 61209180
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
5-amino-N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-fluorobenzamide
CID 61112675
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide?
The IUPAC name of 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide (CID 61095548) is 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide?
The canonical SMILES for 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide is CCN(C(=O)c1cc(N)ccc1N(C)C)C1CC1.
What is the InChIKey of 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide?
The InChIKey is RRXLIUKALJJGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-17(11-6-7-11)14(18)12-9-10(15)5-8-13(12)16(2)3/h5,8-9,11H,4,6-7,15H2,1-3H3.
What are the key properties of 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide?
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide is sourced from PubChem (CID 61095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).