4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide

C11H23N3O2 — CID 66427985

IUPAC4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
SMILESCCC1COCCN1C(CN)CC(=O)NC
InChIInChI=1S/C11H23N3O2/c1-3-9-8-16-5-4-14(9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZMKVJOZCNRPSME-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.44
Rot. Bonds5

About 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide

4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide (PubChem CID 66427985) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
PubChem CID66427985
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
SMILESCCC1COCCN1C(CN)CC(=O)NC
InChIInChI=1S/C11H23N3O2/c1-3-9-8-16-5-4-14(9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyZMKVJOZCNRPSME-UHFFFAOYSA-N
XLogP-0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-3-(3-ethylmorpholin-4-yl)butanamide
CID 66426517
2-(3-ethylmorpholin-4-yl)pentan-1-amine
CID 43612958
3-(3-ethylmorpholin-4-yl)pentanoic acid
CID 63069337
3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
CID 79408287
4-amino-N-tert-butyl-3-(5-ethyl-2-methylmorpholin-4-yl)butanamide
CID 66432044
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-methylbutanamide
CID 66428846
2-(3-ethylmorpholin-4-yl)-N-propylbutan-1-amine
CID 62432044
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
2-(3-ethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432213
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one
CID 130179833

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide (CID 66427985) is 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide is CCC1COCCN1C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide?
The InChIKey is ZMKVJOZCNRPSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9-8-16-5-4-14(9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide?
4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide has a molecular weight of 229.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide is sourced from PubChem (CID 66427985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).