3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide

C16H24N2O3 — CID 17309759

IUPAC3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-4-15(19)18-14-8-5-7-13(11-14)16(20)17-9-6-10-21-12(2)3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJSYPPMAJZYSPGJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.58
Rot. Bonds8

About 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide

3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide (PubChem CID 17309759) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide.

Molecular Properties

Compound Name3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
PubChem CID17309759
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCCCOC(C)C)c1
InChIInChI=1S/C16H24N2O3/c1-4-15(19)18-14-8-5-7-13(11-14)16(20)17-9-6-10-21-12(2)3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJSYPPMAJZYSPGJ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
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-(carbamoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 29209849
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
N-(3-methoxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46437560
N-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 20954974
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-(3-methoxypropyl)-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54842706
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911

Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The IUPAC name of 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide (CID 17309759) is 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide.
What is the SMILES notation for 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The canonical SMILES for 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide is CCC(=O)Nc1cccc(C(=O)NCCCOC(C)C)c1.
What is the InChIKey of 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
The InChIKey is JSYPPMAJZYSPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-15(19)18-14-8-5-7-13(11-14)16(20)17-9-6-10-21-12(2)3/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide?
3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)-N-(3-propan-2-yloxypropyl)benzamide is sourced from PubChem (CID 17309759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).