N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide

C17H33N3O3 — CID 119038295

IUPACN-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)C(CC)N1CCOC(CC)C1
InChIInChI=1S/C17H33N3O3/c1-6-13-11-20(9-10-23-13)14(7-2)15(21)19-12-17(4,5)16(22)18-8-3/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21)
InChIKeyBOWBQKUJXAYVDP-UHFFFAOYSA-N
MW327.47 g/mol
LogP1.15
Rot. Bonds8

About N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide

N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide (PubChem CID 119038295) has the molecular formula C17H33N3O3 and a molecular weight of 327.47 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide
PubChem CID119038295
Molecular FormulaC17H33N3O3
Molecular Weight327.47 g/mol
Exact Mass327.25
IUPAC NameN-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)(C)CNC(=O)C(CC)N1CCOC(CC)C1
InChIInChI=1S/C17H33N3O3/c1-6-13-11-20(9-10-23-13)14(7-2)15(21)19-12-17(4,5)16(22)18-8-3/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21)
InChIKeyBOWBQKUJXAYVDP-UHFFFAOYSA-N
XLogP1.15
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
2-(2-ethylmorpholin-4-yl)-N-propan-2-ylacetamide
CID 53525512
2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
CID 94066300
2-[(2S)-1-(2-methylpropyl)-3-oxopiperazin-2-yl]-N-(2-propan-2-yloxyethyl)acetamide
CID 25283128
N-[1-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 46798170
N-[2-(2,2-dimethylmorpholin-4-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829274
N-[1-[(2S)-2-methylmorpholin-4-yl]-1-oxopropan-2-yl]acetamide
CID 128537882
N-(3-isopropoxypropyl)-2-(1-methyl-3-oxo-2-piperazinyl)acetamide
CID 45250652
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153646
N-(3-amino-2,2-difluoropropyl)-2-(2,6-dimethylmorpholin-4-yl)-3-methylbutanamide
CID 120410007
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]butanamide
CID 133605231
N-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 3221022

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide?
The IUPAC name of N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide (CID 119038295) is N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide.
What is the SMILES notation for N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide?
The canonical SMILES for N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide is CCNC(=O)C(C)(C)CNC(=O)C(CC)N1CCOC(CC)C1.
What is the InChIKey of N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide?
The InChIKey is BOWBQKUJXAYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3/c1-6-13-11-20(9-10-23-13)14(7-2)15(21)19-12-17(4,5)16(22)18-8-3/h13-14H,6-12H2,1-5H3,(H,18,22)(H,19,21).
What are the key properties of N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide?
N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide has a molecular weight of 327.47 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-ethylmorpholin-4-yl)butanoylamino]-2,2-dimethylpropanamide is sourced from PubChem (CID 119038295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).