2-amino-N-[3-(N-ethylanilino)propyl]pentanamide

C16H27N3O — CID 61260460

IUPAC2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCCN(CC)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-9-15(17)16(20)18-12-8-13-19(4-2)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13,17H2,1-2H3,(H,18,20)
InChIKeyMIGWJJSGRDBGOF-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.15
Rot. Bonds9

About 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide

2-amino-N-[3-(N-ethylanilino)propyl]pentanamide (PubChem CID 61260460) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
PubChem CID61260460
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
SMILESCCCC(N)C(=O)NCCCN(CC)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-9-15(17)16(20)18-12-8-13-19(4-2)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13,17H2,1-2H3,(H,18,20)
InChIKeyMIGWJJSGRDBGOF-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.15
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

2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(N-ethylanilino)propylurea
CID 112708177
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
(2S)-2-amino-N-[2-(N-methylanilino)ethyl]hexanamide
CID 103831929
2-amino-4-(N-ethylanilino)butanoic acid
CID 63027828
2-amino-N-(5-phenylpentyl)pentanamide;hydrochloride
CID 119317079
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111390290
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
(2R)-2-amino-N-[3-(N-methylanilino)propyl]-4-methylsulfanylbutanamide
CID 104906752
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide (CID 61260460) is 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide is CCCC(N)C(=O)NCCCN(CC)c1ccccc1.
What is the InChIKey of 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide?
The InChIKey is MIGWJJSGRDBGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-9-15(17)16(20)18-12-8-13-19(4-2)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,8-9,12-13,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide?
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide has a molecular weight of 277.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(N-ethylanilino)propyl]pentanamide is sourced from PubChem (CID 61260460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).