methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide

C14H24N2O2 — CID 158389434

IUPACmethane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
SMILESC.C#CCNC(=O)CC.C#CCNC(=O)CCC
InChIInChI=1S/C7H11NO.C6H9NO.CH4/c1-3-5-7(9)8-6-4-2;1-3-5-7-6(8)4-2;/h2H,3,5-6H2,1H3,(H,8,9);1H,4-5H2,2H3,(H,7,8);1H4
InChIKeyGWTPTSNPJAJYFB-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds5

About methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide

methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide (PubChem CID 158389434) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide.

Molecular Properties

Compound Namemethane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
PubChem CID158389434
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide
SMILESC.C#CCNC(=O)CC.C#CCNC(=O)CCC
InChIInChI=1S/C7H11NO.C6H9NO.CH4/c1-3-5-7(9)8-6-4-2;1-3-5-7-6(8)4-2;/h2H,3,5-6H2,1H3,(H,8,9);1H,4-5H2,2H3,(H,7,8);1H4
InChIKeyGWTPTSNPJAJYFB-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-butylbutanamide
CID 347960
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[4-(butanoylamino)butyl]butanamide
CID 2166864
Butyramide, N-(4-(1-pyrrolidinyl)-2-butynyl)-
CID 27252
Butanamide, N-(4-amino-4-oxobutyl)-
CID 3067787
N-(prop-2-yn-1-yl)propanamide
CID 12155512
N1,N8-Diacetylspermidine
CID 389613
C3-Amide-C4-NH2
CID 14484861
N-[4-(propylamino)butyl]acetamide
CID 14484863
Butyramide, N-(4-(diethylamino)-2-butynyl)-, monohydrochloride
CID 28086

Frequently Asked Questions

What is the IUPAC name of methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide?
The IUPAC name of methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide (CID 158389434) is methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide.
What is the SMILES notation for methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide?
The canonical SMILES for methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide is C.C#CCNC(=O)CC.C#CCNC(=O)CCC.
What is the InChIKey of methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide?
The InChIKey is GWTPTSNPJAJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H9NO.CH4/c1-3-5-7(9)8-6-4-2;1-3-5-7-6(8)4-2;/h2H,3,5-6H2,1H3,(H,8,9);1H,4-5H2,2H3,(H,7,8);1H4.
What are the key properties of methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide?
methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-prop-2-ynylbutanamide;N-prop-2-ynylpropanamide is sourced from PubChem (CID 158389434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).