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

C9H19N3O2 — CID 60837009

IUPAC3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)CC(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(6-8(13)11-3)9(14)5-7(2)10/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyZDLLAJCASASILQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.68
Rot. Bonds5

About 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 60837009) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID60837009
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCCN(CC(=O)NC)C(=O)CC(C)N
InChIInChI=1S/C9H19N3O2/c1-4-12(6-8(13)11-3)9(14)5-7(2)10/h7H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyZDLLAJCASASILQ-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
3-amino-N-ethyl-5,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 113496977
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
(3R)-3-cyclohexyl-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 95305147
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43579108
(2S)-2-amino-N-ethyl-3,3-dimethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 61156283
(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
3-amino-N,N-dipropylbutanamide
CID 60836307
(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 94170765
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 62832119
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 60837009) is 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is CCN(CC(=O)NC)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is ZDLLAJCASASILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-4-12(6-8(13)11-3)9(14)5-7(2)10/h7H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide?
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 201.27 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 60837009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).