N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide

C17H36N2O4 — CID 166714983

IUPACN-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide
SMILESCNCCOCCOCCCOCCC(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C17H36N2O4/c1-15(17(2,3)4)19-16(20)7-11-21-9-6-10-22-13-14-23-12-8-18-5/h15,18H,6-14H2,1-5H3,(H,19,20)/t15-/m1/s1
InChIKeyNGAWHMAHUBZKFC-OAHLLOKOSA-N
MW332.49 g/mol
LogP1.59
Rot. Bonds14

About N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide

N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide (PubChem CID 166714983) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide
PubChem CID166714983
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide
SMILESCNCCOCCOCCCOCCC(=O)N[C@H](C)C(C)(C)C
InChIInChI=1S/C17H36N2O4/c1-15(17(2,3)4)19-16(20)7-11-21-9-6-10-22-13-14-23-12-8-18-5/h15,18H,6-14H2,1-5H3,(H,19,20)/t15-/m1/s1
InChIKeyNGAWHMAHUBZKFC-OAHLLOKOSA-N
XLogP1.59
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
N-[2-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]ethyl]-N'-propan-2-ylpentanediamide
CID 170207685
(2R)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylsulfanylpropanoic acid
CID 59197808
6-amino-2-[3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoylamino]-N-[2-[2-[2-[2-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]hexanamide
CID 176691700
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 175808420
tert-butyl 2-[2-[2-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]ethoxy]ethoxy]acetate
CID 126602178
(2R)-3-aminosulfanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propanoic acid
CID 163825739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide?
The IUPAC name of N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide (CID 166714983) is N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide.
What is the SMILES notation for N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide?
The canonical SMILES for N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide is CNCCOCCOCCCOCCC(=O)N[C@H](C)C(C)(C)C.
What is the InChIKey of N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide?
The InChIKey is NGAWHMAHUBZKFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H36N2O4/c1-15(17(2,3)4)19-16(20)7-11-21-9-6-10-22-13-14-23-12-8-18-5/h15,18H,6-14H2,1-5H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide?
N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide has a molecular weight of 332.49 g/mol, XLogP of 1.59, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide is sourced from PubChem (CID 166714983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).