3-amino-5-ethoxy-N-pentan-3-ylbenzamide

C14H22N2O2 — CID 81090876

IUPAC3-amino-5-ethoxy-N-pentan-3-ylbenzamide
SMILESCCOc1cc(N)cc(C(=O)NC(CC)CC)c1
InChIInChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)10-7-11(15)9-13(8-10)18-6-3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyBPQYNIQLIJNZMN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.59
Rot. Bonds6

About 3-amino-5-ethoxy-N-pentan-3-ylbenzamide

3-amino-5-ethoxy-N-pentan-3-ylbenzamide (PubChem CID 81090876) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-pentan-3-ylbenzamide
PubChem CID81090876
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-5-ethoxy-N-pentan-3-ylbenzamide
SMILESCCOc1cc(N)cc(C(=O)NC(CC)CC)c1
InChIInChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)10-7-11(15)9-13(8-10)18-6-3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17)
InChIKeyBPQYNIQLIJNZMN-UHFFFAOYSA-N
XLogP2.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.59
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-(1-methoxybutan-2-yl)benzamide
CID 81091951
3-amino-5-ethoxy-N-(3-methylbutan-2-yl)benzamide
CID 81091071
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-5-methoxy-N-(1-methoxybutan-2-yl)benzamide
CID 81091859
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-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethoxy-N-pentan-3-ylbenzamide?
The IUPAC name of 3-amino-5-ethoxy-N-pentan-3-ylbenzamide (CID 81090876) is 3-amino-5-ethoxy-N-pentan-3-ylbenzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-pentan-3-ylbenzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-pentan-3-ylbenzamide is CCOc1cc(N)cc(C(=O)NC(CC)CC)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-pentan-3-ylbenzamide?
The InChIKey is BPQYNIQLIJNZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(5-2)16-14(17)10-7-11(15)9-13(8-10)18-6-3/h7-9,12H,4-6,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-5-ethoxy-N-pentan-3-ylbenzamide?
3-amino-5-ethoxy-N-pentan-3-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethoxy-N-pentan-3-ylbenzamide is sourced from PubChem (CID 81090876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).