3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide

C17H28N2O2 — CID 102903247

IUPAC3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-6-21-15-8-13(7-14(18)9-15)17(20)19-10-16(11(2)3)12(4)5/h7-9,11-12,16H,6,10,18H2,1-5H3,(H,19,20)
InChIKeyYFQRMCCMPVKPLZ-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.33
Rot. Bonds7

About 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide

3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide (PubChem CID 102903247) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide.

Molecular Properties

Compound Name3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
PubChem CID102903247
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
SMILESCCOc1cc(N)cc(C(=O)NCC(C(C)C)C(C)C)c1
InChIInChI=1S/C17H28N2O2/c1-6-21-15-8-13(7-14(18)9-15)17(20)19-10-16(11(2)3)12(4)5/h7-9,11-12,16H,6,10,18H2,1-5H3,(H,19,20)
InChIKeyYFQRMCCMPVKPLZ-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.33
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-(3-methylbutan-2-yl)benzamide
CID 81091071
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
CID 83108291
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-(4-methoxybutan-2-yl)benzamide
CID 81092041
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
3-amino-5-ethoxy-N-(1-ethoxypropan-2-yl)benzamide
CID 81089892
methyl 3-amino-5-ethoxybenzoate
CID 45089063
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-(3-methyl-2-propan-2-ylbutyl)benzamide?
The IUPAC name of 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide (CID 102903247) is 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide.
What is the SMILES notation for 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The canonical SMILES for 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide is CCOc1cc(N)cc(C(=O)NCC(C(C)C)C(C)C)c1.
What is the InChIKey of 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
The InChIKey is YFQRMCCMPVKPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-21-15-8-13(7-14(18)9-15)17(20)19-10-16(11(2)3)12(4)5/h7-9,11-12,16H,6,10,18H2,1-5H3,(H,19,20).
What are the key properties of 3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide?
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide has a molecular weight of 292.42 g/mol, XLogP of 3.33, 7 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-(3-methyl-2-propan-2-ylbutyl)benzamide is sourced from PubChem (CID 102903247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).