N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide

C13H30N2O2 — CID 160804032

IUPACN-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
SMILESC.CCC(=O)NC(C)C.CCNC(=O)C(C)C
InChIInChI=1S/2C6H13NO.CH4/c1-4-7-6(8)5(2)3;1-4-6(8)7-5(2)3;/h2*5H,4H2,1-3H3,(H,7,8);1H4
InChIKeySDLKWDJYTRTAJB-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.34
Rot. Bonds4

About N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide

N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide (PubChem CID 160804032) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
PubChem CID160804032
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC NameN-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide
SMILESC.CCC(=O)NC(C)C.CCNC(=O)C(C)C
InChIInChI=1S/2C6H13NO.CH4/c1-4-7-6(8)5(2)3;1-4-6(8)7-5(2)3;/h2*5H,4H2,1-3H3,(H,7,8);1H4
InChIKeySDLKWDJYTRTAJB-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
N-ethyl-2-methylpropanamide;molecular hydrogen;prop-1-ene
CID 144853792
(E)-3,4-dimethyl-5-(2-methylpropanoylamino)-N-propan-2-ylpent-3-enamide
CID 15427851
2-methyl-N-propanoylpropanamide
CID 13378668
N'-(2-methylpropanoyl)-N-propan-2-ylpropanediamide
CID 178083708
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-ethylpropanamide
CID 62364023
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
ethane;1-ethyl-3-propan-2-ylurea
CID 156793066
3-hydroxy-2-(propanoylamino)-N-propan-2-ylbutanamide
CID 142455323
ethane;N-ethyl-2-methylbutanamide
CID 145471862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide?
The IUPAC name of N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide (CID 160804032) is N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide.
What is the SMILES notation for N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide?
The canonical SMILES for N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide is C.CCC(=O)NC(C)C.CCNC(=O)C(C)C.
What is the InChIKey of N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide?
The InChIKey is SDLKWDJYTRTAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO.CH4/c1-4-7-6(8)5(2)3;1-4-6(8)7-5(2)3;/h2*5H,4H2,1-3H3,(H,7,8);1H4.
What are the key properties of N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide?
N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide has a molecular weight of 246.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropanamide;methane;N-propan-2-ylpropanamide is sourced from PubChem (CID 160804032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).