3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide

C14H20N2O2 — CID 61095549

IUPAC3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)C2CC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-3-16(11-6-7-11)14(17)10-5-8-13(18-4-2)12(15)9-10/h5,8-9,11H,3-4,6-7,15H2,1-2H3
InChIKeyBRLZVXIDXTYYHZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.29
Rot. Bonds5

About 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide

3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide (PubChem CID 61095549) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
PubChem CID61095549
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide
SMILESCCOc1ccc(C(=O)N(CC)C2CC2)cc1N
InChIInChI=1S/C14H20N2O2/c1-3-16(11-6-7-11)14(17)10-5-8-13(18-4-2)12(15)9-10/h5,8-9,11H,3-4,6-7,15H2,1-2H3
InChIKeyBRLZVXIDXTYYHZ-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-cyclopropylmethanone
CID 82152472
3-amino-N-cyclopropyl-5-ethoxy-N-ethylbenzamide
CID 81090601
3-amino-4-ethoxy-N-ethyl-N-propylbenzamide
CID 61094577
3-amino-4-ethoxy-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107770
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
2-(2-amino-4-methylphenoxy)-N-cyclopropyl-N-ethylacetamide
CID 54957478
[2-(cyclopropylamino)-2-oxoethyl] 3-amino-4-ethoxybenzoate
CID 61320899
3-amino-4-ethoxy-N-ethyl-N-(2-methylbutyl)benzamide
CID 79477369
2-(2-amino-4-bromophenoxy)-N-cyclopropyl-N-ethylacetamide
CID 65431648
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide (CID 61095549) is 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide is CCOc1ccc(C(=O)N(CC)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide?
The InChIKey is BRLZVXIDXTYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(11-6-7-11)14(17)10-5-8-13(18-4-2)12(15)9-10/h5,8-9,11H,3-4,6-7,15H2,1-2H3.
What are the key properties of 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide?
3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-ethoxy-N-ethylbenzamide is sourced from PubChem (CID 61095549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).