3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide

C16H27N3O — CID 62834234

IUPAC3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
SMILESCCNCCC(=O)NCCCN(CC)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-17-13-11-16(20)18-12-8-14-19(4-2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20)
InChIKeyDTQLYYVKEMXOFU-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.02
Rot. Bonds10

About 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide

3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide (PubChem CID 62834234) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
PubChem CID62834234
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
SMILESCCNCCC(=O)NCCCN(CC)c1ccccc1
InChIInChI=1S/C16H27N3O/c1-3-17-13-11-16(20)18-12-8-14-19(4-2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20)
InChIKeyDTQLYYVKEMXOFU-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.02
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-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 111390255
3-(N-ethylanilino)propylurea
CID 112708177
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[3-(dimethylamino)propyl]-2-(N-ethylanilino)acetamide
CID 108995270
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
N-[3-(N-ethylanilino)propyl]-4-(1H-indol-3-yl)butanamide
CID 55452531
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
4-(N-ethylanilino)butanoic acid
CID 11390560

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide?
The IUPAC name of 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide (CID 62834234) is 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide.
What is the SMILES notation for 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide?
The canonical SMILES for 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide is CCNCCC(=O)NCCCN(CC)c1ccccc1.
What is the InChIKey of 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide?
The InChIKey is DTQLYYVKEMXOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-17-13-11-16(20)18-12-8-14-19(4-2)15-9-6-5-7-10-15/h5-7,9-10,17H,3-4,8,11-14H2,1-2H3,(H,18,20).
What are the key properties of 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide?
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide is sourced from PubChem (CID 62834234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).