4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide

C15H23N3O2 — CID 62835672

IUPAC4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
SMILESCCNCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-16-10-9-14(19)18-13-7-5-12(6-8-13)15(20)17-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGBCOOSYYKLLTQY-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.76
Rot. Bonds7

About 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide

4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide (PubChem CID 62835672) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
PubChem CID62835672
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
SMILESCCNCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-4-16-10-9-14(19)18-13-7-5-12(6-8-13)15(20)17-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyGBCOOSYYKLLTQY-UHFFFAOYSA-N
XLogP1.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.76
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

4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
4-[3-(ethylamino)propanoylamino]-N-(2-hydroxyethyl)benzamide
CID 62833618
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide (CID 62835672) is 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide is CCNCCC(=O)Nc1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide?
The InChIKey is GBCOOSYYKLLTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-16-10-9-14(19)18-13-7-5-12(6-8-13)15(20)17-11(2)3/h5-8,11,16H,4,9-10H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide?
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 62835672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).