(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide

C16H30N2O4 — CID 95295293

IUPAC(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C16H30N2O4/c1-4-21-11-12-22-14(3)16(20)17-9-8-15(19)18-10-6-5-7-13(18)2/h13-14H,4-12H2,1-3H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyJACORYVGLWJOGL-KGLIPLIRSA-N
MW314.43 g/mol
LogP1.34
Rot. Bonds9

About (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide

(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide (PubChem CID 95295293) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
PubChem CID95295293
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C16H30N2O4/c1-4-21-11-12-22-14(3)16(20)17-9-8-15(19)18-10-6-5-7-13(18)2/h13-14H,4-12H2,1-3H3,(H,17,20)/t13-,14+/m1/s1
InChIKeyJACORYVGLWJOGL-KGLIPLIRSA-N
XLogP1.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
CID 119620567
(2S)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-methylsulfanylpropanamide
CID 95271447
cis-(1S,3R)-3-[2-(2-ethoxyethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120675280
(2R)-2-(2-ethoxyethoxy)-N-[[(3S)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 95161072
2-methyl-1-(3-methylbutan-2-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111001860
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
CID 95287547
1-cyclopentyl-2-methyl-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110991497
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
N-(3-aminopropyl)-2-(2-ethoxyethoxy)propanamide
CID 119407373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide (CID 95295293) is (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide is CCOCCO[C@@H](C)C(=O)NCCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
The InChIKey is JACORYVGLWJOGL-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-4-21-11-12-22-14(3)16(20)17-9-8-15(19)18-10-6-5-7-13(18)2/h13-14H,4-12H2,1-3H3,(H,17,20)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide?
(2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide has a molecular weight of 314.43 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethoxy)-N-[3-[(2R)-2-methylpiperidin-1-yl]-3-oxopropyl]propanamide is sourced from PubChem (CID 95295293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).