ethane;N-propan-2-ylbutanamide

C9H21NO — CID 169175258

IUPACethane;N-propan-2-ylbutanamide
SMILESCC.CCCC(=O)NC(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-4-5-7(9)8-6(2)3;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3
InChIKeyIVSUAXSSXHHFEL-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.34
Rot. Bonds3

About ethane;N-propan-2-ylbutanamide

ethane;N-propan-2-ylbutanamide (PubChem CID 169175258) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is ethane;N-propan-2-ylbutanamide.

Molecular Properties

Compound Nameethane;N-propan-2-ylbutanamide
PubChem CID169175258
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Nameethane;N-propan-2-ylbutanamide
SMILESCC.CCCC(=O)NC(C)C
InChIInChI=1S/C7H15NO.C2H6/c1-4-5-7(9)8-6(2)3;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3
InChIKeyIVSUAXSSXHHFEL-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methylpropanamide;N-propan-2-ylbutanamide
CID 158607783
molecular hydrogen;N-propan-2-ylpentanamide
CID 167520420
ethane;N-[2-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethoxy]ethyl]butanamide
CID 166081207
N,N'-di(propan-2-yl)decanediamide
CID 58997511
N-propan-2-ylpropanamide;dihydrochloride
CID 172679019
N-hexan-2-ylbutanamide
CID 64592038
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
N-(5-bromopentan-2-yl)butanamide
CID 114316345
N-(1-cyanoethyl)butanamide
CID 61120062
3-(2-butoxyethoxy)-N-propan-2-ylpropanamide
CID 154677786
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512

Frequently Asked Questions

What is the IUPAC name of ethane;N-propan-2-ylbutanamide?
The IUPAC name of ethane;N-propan-2-ylbutanamide (CID 169175258) is ethane;N-propan-2-ylbutanamide.
What is the SMILES notation for ethane;N-propan-2-ylbutanamide?
The canonical SMILES for ethane;N-propan-2-ylbutanamide is CC.CCCC(=O)NC(C)C.
What is the InChIKey of ethane;N-propan-2-ylbutanamide?
The InChIKey is IVSUAXSSXHHFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-4-5-7(9)8-6(2)3;1-2/h6H,4-5H2,1-3H3,(H,8,9);1-2H3.
What are the key properties of ethane;N-propan-2-ylbutanamide?
ethane;N-propan-2-ylbutanamide has a molecular weight of 159.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propan-2-ylbutanamide is sourced from PubChem (CID 169175258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).