3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide

C16H26N2O2 — CID 82070423

IUPAC3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)CCNC(=O)c1ccc(OCC(C)C)c(N)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)13-5-6-15(14(17)9-13)20-10-12(3)4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyHCPBGSRZJRAGJK-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.08
Rot. Bonds7

About 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide

3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide (PubChem CID 82070423) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
PubChem CID82070423
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
SMILESCC(C)CCNC(=O)c1ccc(OCC(C)C)c(N)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)13-5-6-15(14(17)9-13)20-10-12(3)4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19)
InChIKeyHCPBGSRZJRAGJK-UHFFFAOYSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.08
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-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
3-amino-N-ethyl-4-[2-(2-methylpropoxy)ethoxy]benzamide
CID 106446783
4-amino-3-[2-(methylamino)-2-oxoethoxy]-N-(3-methylbutyl)benzamide
CID 82070095
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
CID 93216664
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
4-methyl-3-(2-methylpropoxy)benzohydrazide
CID 163359289
3-amino-N-(2-methylcyclohexyl)-4-(2-methylpropoxy)benzamide
CID 82070419
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide (CID 82070423) is 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide is CC(C)CCNC(=O)c1ccc(OCC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is HCPBGSRZJRAGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)7-8-18-16(19)13-5-6-15(14(17)9-13)20-10-12(3)4/h5-6,9,11-12H,7-8,10,17H2,1-4H3,(H,18,19).
What are the key properties of 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide?
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 278.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 82070423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).