4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

C9H19N3O2 — CID 43579108

IUPAC4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)CCCN
InChIInChI=1S/C9H19N3O2/c1-3-12(7-8(13)11-2)9(14)5-4-6-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyAOHYDCOEOWLSMZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds6

About 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 43579108) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID43579108
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)CCCN
InChIInChI=1S/C9H19N3O2/c1-3-12(7-8(13)11-2)9(14)5-4-6-10/h3-7,10H2,1-2H3,(H,11,13)
InChIKeyAOHYDCOEOWLSMZ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
7-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]heptanamide
CID 54878536
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
N',N'-diethyl-N-methylbutanediamide
CID 177056307
3-(4-aminophenyl)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 61037410
4-amino-N,N-dipropylbutanamide
CID 12835718
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
N-ethyl-2-hydrazinyl-N-[2-(methylamino)-2-oxoethyl]-2-oxoacetamide
CID 61450123

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 43579108) is 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CCN(CC(=O)NC)C(=O)CCCN.
What is the InChIKey of 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is AOHYDCOEOWLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-12(7-8(13)11-2)9(14)5-4-6-10/h3-7,10H2,1-2H3,(H,11,13).
What are the key properties of 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 43579108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).