4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide

C15H21N3O3 — CID 121062260

IUPAC4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H21N3O3/c1-3-13(19)16-9-10-17-15(21)11-5-7-12(8-6-11)18-14(20)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyUIEAJKDBDUZDRG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.29
Rot. Bonds7

About 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide

4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide (PubChem CID 121062260) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
PubChem CID121062260
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
SMILESCCC(=O)NCCNC(=O)c1ccc(NC(=O)CC)cc1
InChIInChI=1S/C15H21N3O3/c1-3-13(19)16-9-10-17-15(21)11-5-7-12(8-6-11)18-14(20)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)
InChIKeyUIEAJKDBDUZDRG-UHFFFAOYSA-N
XLogP1.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
4-phenyl-N-[4-[2-(propanoylamino)ethylcarbamoyl]phenyl]benzamide
CID 121062289
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
1-(propanoylamino)-4-[2-(sulfinatoamino)ethylcarbamoyl]benzene
CID 118426421
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-[[2-(3-methylphenyl)acetyl]amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062320
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063287
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
4-[(2-naphthalen-1-yloxyacetyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062341

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The IUPAC name of 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide (CID 121062260) is 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide.
What is the SMILES notation for 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The canonical SMILES for 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide is CCC(=O)NCCNC(=O)c1ccc(NC(=O)CC)cc1.
What is the InChIKey of 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide?
The InChIKey is UIEAJKDBDUZDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-13(19)16-9-10-17-15(21)11-5-7-12(8-6-11)18-14(20)4-2/h5-8H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,21)(H,18,20).
What are the key properties of 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide?
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide is sourced from PubChem (CID 121062260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).