N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane

C22H53NO — CID 142005594

IUPACN,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
SMILESCC.CC.CC.CC.CCCC(C(C)CC)N(C)C(=O)C(C)CC
InChIInChI=1S/C14H29NO.4C2H6/c1-7-10-13(11(4)8-2)15(6)14(16)12(5)9-3;4*1-2/h11-13H,7-10H2,1-6H3;4*1-2H3
InChIKeyBOKIDCOVDRAIQI-UHFFFAOYSA-N
MW347.67 g/mol
LogP7.81
Rot. Bonds7

About N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane

N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane (PubChem CID 142005594) has the molecular formula C22H53NO and a molecular weight of 347.67 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
PubChem CID142005594
Molecular FormulaC22H53NO
Molecular Weight347.67 g/mol
Exact Mass347.41
IUPAC NameN,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane
SMILESCC.CC.CC.CC.CCCC(C(C)CC)N(C)C(=O)C(C)CC
InChIInChI=1S/C14H29NO.4C2H6/c1-7-10-13(11(4)8-2)15(6)14(16)12(5)9-3;4*1-2/h11-13H,7-10H2,1-6H3;4*1-2H3
InChIKeyBOKIDCOVDRAIQI-UHFFFAOYSA-N
XLogP7.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.67
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
(2S)-2-amino-N,3-dimethyl-N-pentan-2-ylpentanamide
CID 61173173
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
N,2-dimethyl-N-propylbutanamide
CID 89368936
3-chloro-N,2-dimethyl-N-pentan-2-ylpropanamide
CID 62726602
N-ethyl-N,2-dimethylbutanamide
CID 89343843
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
ethane;ethyl 2-methylbutanoate
CID 144747106
3-methylhexan-2-yl 2-methylbutanoate
CID 129131551
(2S)-N-[(2S)-1-methoxybutan-2-yl]-N-methyl-2-(3-methylbutylamino)butanamide
CID 153499911
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane?
The IUPAC name of N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane (CID 142005594) is N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane.
What is the SMILES notation for N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane?
The canonical SMILES for N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane is CC.CC.CC.CC.CCCC(C(C)CC)N(C)C(=O)C(C)CC.
What is the InChIKey of N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane?
The InChIKey is BOKIDCOVDRAIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.4C2H6/c1-7-10-13(11(4)8-2)15(6)14(16)12(5)9-3;4*1-2/h11-13H,7-10H2,1-6H3;4*1-2H3.
What are the key properties of N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane?
N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane has a molecular weight of 347.67 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methylheptan-4-yl)butanamide;ethane is sourced from PubChem (CID 142005594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).