3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide

C16H24N2O3 — CID 51278231

IUPAC3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCOCC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-21-9-5-8-17-16(20)14-6-4-7-15(10-14)18-13(3)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPAXBARSAYDBLLZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.44
Rot. Bonds8

About 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide

3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide (PubChem CID 51278231) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
PubChem CID51278231
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCOCC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-12(2)11-21-9-5-8-17-16(20)14-6-4-7-15(10-14)18-13(3)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyPAXBARSAYDBLLZ-UHFFFAOYSA-N
XLogP2.44
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.44
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

3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[3-(2-methylpropoxy)propyl]-3-sulfamoylbenzamide
CID 103606594
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-acetamido-N-(3-aminopropyl)benzamide
CID 82335696
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
1-(3-iodophenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133549
3-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 54831834
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide?
The IUPAC name of 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide (CID 51278231) is 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide?
The canonical SMILES for 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide is CC(=O)Nc1cccc(C(=O)NCCCOCC(C)C)c1.
What is the InChIKey of 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide?
The InChIKey is PAXBARSAYDBLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)11-21-9-5-8-17-16(20)14-6-4-7-15(10-14)18-13(3)19/h4,6-7,10,12H,5,8-9,11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide?
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide is sourced from PubChem (CID 51278231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).