4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide

C17H28N2O3 — CID 93216664

IUPAC4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)COc1cc(C(=O)NCCCOC(C)C)ccc1N
InChIInChI=1S/C17H28N2O3/c1-12(2)11-22-16-10-14(6-7-15(16)18)17(20)19-8-5-9-21-13(3)4/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyWPWBNCRCFXHJRO-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.85
Rot. Bonds9

About 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide

4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 93216664) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID93216664
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)COc1cc(C(=O)NCCCOC(C)C)ccc1N
InChIInChI=1S/C17H28N2O3/c1-12(2)11-22-16-10-14(6-7-15(16)18)17(20)19-8-5-9-21-13(3)4/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3,(H,19,20)
InChIKeyWPWBNCRCFXHJRO-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
3-amino-N-(3-methylbutyl)-4-(2-methylpropoxy)benzamide
CID 82070423
2-amino-N-(4-propan-2-yloxybutyl)pyridine-4-carboxamide
CID 106015103
4-amino-3-(2-amino-2-oxoethoxy)-N-(3-ethoxypropyl)benzamide
CID 82069692
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
4-amino-3-propoxy-N-propylbenzamide
CID 82069804
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
4-amino-N-(3-aminopropyl)-3-methoxybenzamide
CID 89121865
2-amino-N-(3-propan-2-yloxypropyl)benzamide
CID 61249223
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide (CID 93216664) is 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide is CC(C)COc1cc(C(=O)NCCCOC(C)C)ccc1N.
What is the InChIKey of 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is WPWBNCRCFXHJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(2)11-22-16-10-14(6-7-15(16)18)17(20)19-8-5-9-21-13(3)4/h6-7,10,12-13H,5,8-9,11,18H2,1-4H3,(H,19,20).
What are the key properties of 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide?
4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 308.42 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-methylpropoxy)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 93216664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).