ethane;N-ethyl-2-methylbutanamide

C9H21NO — CID 145471862

IUPACethane;N-ethyl-2-methylbutanamide
SMILESCC.CCNC(=O)C(C)CC
InChIInChI=1S/C7H15NO.C2H6/c1-4-6(3)7(9)8-5-2;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3
InChIKeyXKOHDHURTYXAMQ-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.19
Rot. Bonds3

About ethane;N-ethyl-2-methylbutanamide

ethane;N-ethyl-2-methylbutanamide (PubChem CID 145471862) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-methylbutanamide
PubChem CID145471862
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;N-ethyl-2-methylbutanamide
SMILESCC.CCNC(=O)C(C)CC
InChIInChI=1S/C7H15NO.C2H6/c1-4-6(3)7(9)8-5-2;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3
InChIKeyXKOHDHURTYXAMQ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
2-methyl-N-prop-2-enylbutanamide
CID 20811204
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
2-amino-N,N'-diethylpropanediamide
CID 88901749
N-ethyl-4-methyl-2-(methylamino)pentanamide
CID 155260519

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-methylbutanamide?
The IUPAC name of ethane;N-ethyl-2-methylbutanamide (CID 145471862) is ethane;N-ethyl-2-methylbutanamide.
What is the SMILES notation for ethane;N-ethyl-2-methylbutanamide?
The canonical SMILES for ethane;N-ethyl-2-methylbutanamide is CC.CCNC(=O)C(C)CC.
What is the InChIKey of ethane;N-ethyl-2-methylbutanamide?
The InChIKey is XKOHDHURTYXAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-4-6(3)7(9)8-5-2;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-ethyl-2-methylbutanamide?
ethane;N-ethyl-2-methylbutanamide has a molecular weight of 159.27 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-methylbutanamide is sourced from PubChem (CID 145471862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).