3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide

C14H20N2O2 — CID 81090276

IUPAC3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CC2(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-18-11-6-9(5-10(15)7-11)13(17)16-12-8-14(12,2)3/h5-7,12H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyODDWIFIPHDSFEX-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds4

About 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide

3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide (PubChem CID 81090276) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide
PubChem CID81090276
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NC2CC2(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-18-11-6-9(5-10(15)7-11)13(17)16-12-8-14(12,2)3/h5-7,12H,4,8,15H2,1-3H3,(H,16,17)
InChIKeyODDWIFIPHDSFEX-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
CID 81094286
3-amino-5-ethoxy-N-(2-methoxycyclopentyl)benzamide
CID 81090807
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 81094264
methyl 3-amino-5-ethoxybenzoate
CID 45089063
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-ethoxybenzamide
CID 107843413
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
ethyl 3-amino-5-ethoxybenzoate
CID 58424919

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide (CID 81090276) is 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)NC2CC2(C)C)c1.
What is the InChIKey of 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide?
The InChIKey is ODDWIFIPHDSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-18-11-6-9(5-10(15)7-11)13(17)16-12-8-14(12,2)3/h5-7,12H,4,8,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide?
3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylcyclopropyl)-5-ethoxybenzamide is sourced from PubChem (CID 81090276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).