ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen

C11H27NO2 — CID 170582963

IUPACethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen
SMILESCC.CCO[C@H](CC)CNC(=O)CC.[H][H]
InChIInChI=1S/C9H19NO2.C2H6.H2/c1-4-8(12-6-3)7-10-9(11)5-2;1-2;/h8H,4-7H2,1-3H3,(H,10,11);1-2H3;1H/t8-;;/m1../s1
InChIKeyADTZYPFGGQKQGY-YCBDHFTFSA-N
MW205.34 g/mol
LogP2.60
Rot. Bonds6

About ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen

ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen (PubChem CID 170582963) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen
PubChem CID170582963
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen
SMILESCC.CCO[C@H](CC)CNC(=O)CC.[H][H]
InChIInChI=1S/C9H19NO2.C2H6.H2/c1-4-8(12-6-3)7-10-9(11)5-2;1-2;/h8H,4-7H2,1-3H3,(H,10,11);1-2H3;1H/t8-;;/m1../s1
InChIKeyADTZYPFGGQKQGY-YCBDHFTFSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(2-methylbutyl)propanamide
CID 177054062
3-ethoxy-N-methylpentanamide
CID 123953806
3-ethoxy-4-[4-(methylamino)butanoylamino]butanoic acid
CID 114227057
4-[(2-tert-butylsulfanylacetyl)amino]-3-ethoxybutanoic acid
CID 114226857
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N-(2-bromopropyl)propanamide
CID 87559070
N-[2-(propanoylamino)propyl]propanamide
CID 3569677
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
(2S)-2-ethoxy-1-fluorobutane
CID 153031370
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen?
The IUPAC name of ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen (CID 170582963) is ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen is CC.CCO[C@H](CC)CNC(=O)CC.[H][H].
What is the InChIKey of ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen?
The InChIKey is ADTZYPFGGQKQGY-YCBDHFTFSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6.H2/c1-4-8(12-6-3)7-10-9(11)5-2;1-2;/h8H,4-7H2,1-3H3,(H,10,11);1-2H3;1H/t8-;;/m1../s1.
What are the key properties of ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen?
ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen has a molecular weight of 205.34 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2R)-2-ethoxybutyl]propanamide;molecular hydrogen is sourced from PubChem (CID 170582963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).