N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide

C13H27N3O2 — CID 119876458

IUPACN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCN1CCOCC1(C)C
InChIInChI=1S/C13H27N3O2/c1-11(9-14-4)12(17)15-5-6-16-7-8-18-10-13(16,2)3/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyDRTVIQLVHCIEMU-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.07
Rot. Bonds6

About N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119876458) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119876458
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCCN1CCOCC1(C)C
InChIInChI=1S/C13H27N3O2/c1-11(9-14-4)12(17)15-5-6-16-7-8-18-10-13(16,2)3/h11,14H,5-10H2,1-4H3,(H,15,17)
InChIKeyDRTVIQLVHCIEMU-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]propanamide;dihydrochloride
CID 119876449
3-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503703
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119876411
1-cyclopropyl-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea
CID 167975261
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 127336843
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119876468
4-(3,3-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanamide
CID 63054478
5-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpentan-1-amine
CID 62461860
ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
CID 63053944
3-(3,3-dimethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 61430784

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 119876458) is N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCCN1CCOCC1(C)C.
What is the InChIKey of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is DRTVIQLVHCIEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(9-14-4)12(17)15-5-6-16-7-8-18-10-13(16,2)3/h11,14H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119876458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).