4-(ethylamino)-N-propylbutanamide

C9H20N2O — CID 168958611

IUPAC4-(ethylamino)-N-propylbutanamide
SMILESCCCNC(=O)CCCNCC
InChIInChI=1S/C9H20N2O/c1-3-7-11-9(12)6-5-8-10-4-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeySLJQJWUBSHHWIK-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds7

About 4-(ethylamino)-N-propylbutanamide

4-(ethylamino)-N-propylbutanamide (PubChem CID 168958611) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(ethylamino)-N-propylbutanamide.

Molecular Properties

Compound Name4-(ethylamino)-N-propylbutanamide
PubChem CID168958611
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(ethylamino)-N-propylbutanamide
SMILESCCCNC(=O)CCCNCC
InChIInChI=1S/C9H20N2O/c1-3-7-11-9(12)6-5-8-10-4-2/h10H,3-8H2,1-2H3,(H,11,12)
InChIKeySLJQJWUBSHHWIK-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N,N'-dipropyldecanediamide
CID 102239298
N-[2-(ethylamino)ethyl]dodecanamide
CID 65426365
4-acetamido-N-[4-oxo-4-[[4-oxo-4-[[4-oxo-4-(propylamino)butyl]amino]butyl]amino]butyl]butanamide
CID 71430120
3-[2-(ethylamino)ethoxy]-N-propylpropanamide
CID 171508192
ethane;N-propylheptanamide
CID 145289188
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
12-oxo-N-propyltridecanamide
CID 135223938
sodium;hydride;N-propyldodecanamide
CID 172999662
ethane;3-[2-(ethylamino)ethylsulfinyl]-N-propylpropanamide
CID 145289156
8-oxo-N-propyldecanamide
CID 156819961

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-propylbutanamide?
The IUPAC name of 4-(ethylamino)-N-propylbutanamide (CID 168958611) is 4-(ethylamino)-N-propylbutanamide.
What is the SMILES notation for 4-(ethylamino)-N-propylbutanamide?
The canonical SMILES for 4-(ethylamino)-N-propylbutanamide is CCCNC(=O)CCCNCC.
What is the InChIKey of 4-(ethylamino)-N-propylbutanamide?
The InChIKey is SLJQJWUBSHHWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-7-11-9(12)6-5-8-10-4-2/h10H,3-8H2,1-2H3,(H,11,12).
What are the key properties of 4-(ethylamino)-N-propylbutanamide?
4-(ethylamino)-N-propylbutanamide has a molecular weight of 172.27 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-propylbutanamide is sourced from PubChem (CID 168958611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).