4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide

C17H26N2O3 — CID 7376221

IUPAC4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)16(20)19-15-8-6-14(7-9-15)17(21)18-10-5-11-22-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyRJLDEUHWQHCCNJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.83
Rot. Bonds8

About 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide

4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 7376221) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID7376221
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C17H26N2O3/c1-12(2)16(20)19-15-8-6-14(7-9-15)17(21)18-10-5-11-22-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyRJLDEUHWQHCCNJ-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(2-methylpropanoylamino)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 30865071
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
N-(3-ethoxypropyl)-2-[[4-(2-methylpropanoylamino)benzoyl]amino]benzamide
CID 17312166
N-[4-(hydrazinecarbonyl)phenyl]-2-methylpropanamide
CID 952336
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide (CID 7376221) is 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide is CC(C)OCCCNC(=O)c1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is RJLDEUHWQHCCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)16(20)19-15-8-6-14(7-9-15)17(21)18-10-5-11-22-13(3)4/h6-9,12-13H,5,10-11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 7376221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).