N-[3-(ethylamino)propyl]-3-oxobutanamide

C9H18N2O2 — CID 170655625

IUPACN-[3-(ethylamino)propyl]-3-oxobutanamide
SMILESCCNCCCNC(=O)CC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-10-5-4-6-11-9(13)7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyCMFDBGQFASJDFO-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.08
Rot. Bonds7

About N-[3-(ethylamino)propyl]-3-oxobutanamide

N-[3-(ethylamino)propyl]-3-oxobutanamide (PubChem CID 170655625) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-oxobutanamide
PubChem CID170655625
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-[3-(ethylamino)propyl]-3-oxobutanamide
SMILESCCNCCCNC(=O)CC(C)=O
InChIInChI=1S/C9H18N2O2/c1-3-10-5-4-6-11-9(13)7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13)
InChIKeyCMFDBGQFASJDFO-UHFFFAOYSA-N
XLogP0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-oxobutanamide
CID 5161533
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N-[3-(2-oxopropylamino)propyl]propanamide
CID 71439535
2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 61403571
4-(ethylamino)-N-propylbutanamide
CID 168958611
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
8-(ethylamino)octan-2-one
CID 170584616
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
N-(2-chloroethyl)-3-oxobutanamide
CID 3015258

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-oxobutanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-oxobutanamide (CID 170655625) is N-[3-(ethylamino)propyl]-3-oxobutanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-oxobutanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-oxobutanamide is CCNCCCNC(=O)CC(C)=O.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-oxobutanamide?
The InChIKey is CMFDBGQFASJDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10-5-4-6-11-9(13)7-8(2)12/h10H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-[3-(ethylamino)propyl]-3-oxobutanamide?
N-[3-(ethylamino)propyl]-3-oxobutanamide has a molecular weight of 186.25 g/mol, XLogP of 0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-oxobutanamide is sourced from PubChem (CID 170655625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).