acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane

C24H46N2O2 — CID 143394162

IUPACacetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
SMILESC#C.C=C(CC1CC1)NCC(=O)N(CC)[C@@H](CCC)C(C)=O.CC.CC(C)C
InChIInChI=1S/C16H28N2O2.C4H10.C2H6.C2H2/c1-5-7-15(13(4)19)18(6-2)16(20)11-17-12(3)10-14-8-9-14;1-4(2)3;2*1-2/h14-15,17H,3,5-11H2,1-2,4H3;4H,1-3H3;1-2H3;1-2H/t15-;;;/m0.../s1
InChIKeyOSKFFQXSNWLGKG-CFZZCFLMSA-N
MW394.64 g/mol
LogP5.43
Rot. Bonds10

About acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane

acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane (PubChem CID 143394162) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane.

Molecular Properties

Compound Nameacetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
PubChem CID143394162
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Nameacetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane
SMILESC#C.C=C(CC1CC1)NCC(=O)N(CC)[C@@H](CCC)C(C)=O.CC.CC(C)C
InChIInChI=1S/C16H28N2O2.C4H10.C2H6.C2H2/c1-5-7-15(13(4)19)18(6-2)16(20)11-17-12(3)10-14-8-9-14;1-4(2)3;2*1-2/h14-15,17H,3,5-11H2,1-2,4H3;4H,1-3H3;1-2H3;1-2H/t15-;;;/m0.../s1
InChIKeyOSKFFQXSNWLGKG-CFZZCFLMSA-N
XLogP5.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(2R)-2-[[(3S)-3-[[(2S)-2-[[(3S)-3,4-dimethylpent-1-en-2-yl]-methylamino]propanoyl]amino]but-1-en-2-yl]amino]propanoyl]-methylamino]-N,4-dimethyl-N-[(3S)-5-methyl-2-oxohexan-3-yl]pentanamide
CID 132215301
2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide;propane
CID 142456908
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;ethane;molecular hydrogen
CID 142558125
ethane;(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide;molecular hydrogen
CID 142558292
(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
CID 142558366
(2S)-3-methyl-N-[2-oxo-6-(prop-1-en-2-ylamino)hexan-3-yl]-2-(propan-2-ylamino)butanamide
CID 155453313
ethane;(2S)-N-[(2R)-3-oxobutan-2-yl]-2-(pent-1-en-2-ylamino)propanamide;propane;N,2,4-trimethyl-N-[4-methyl-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pent-1-en-3-yl]pentanamide
CID 157046633
2-methyl-N-[(3S)-5-methyl-2-[2-(2-oxopropylamino)prop-2-enylamino]hex-1-en-3-yl]pentanediamide
CID 175618368
2-[3-aminopent-1-en-2-yl(methyl)amino]-N-(2,6-dimethyl-3-oxoheptan-4-yl)-N-methylacetamide
CID 142456909
(2S)-2-[(2-cyclopropylacetyl)amino]-N-ethyl-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
CID 142558126
(2S)-N-ethyl-2-[(3-methyl-2-oxobutyl)amino]-4-[(2S)-2-methylpiperidin-1-yl]pent-4-enamide
CID 142558293
(2S)-1-[(2S)-2-acetylpyrrolidin-1-yl]-3-methyl-2-[[(3S)-3-(propan-2-ylamino)but-1-en-2-yl]amino]butan-1-one
CID 142847813

Frequently Asked Questions

What is the IUPAC name of acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane?
The IUPAC name of acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane (CID 143394162) is acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane.
What is the SMILES notation for acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane?
The canonical SMILES for acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane is C#C.C=C(CC1CC1)NCC(=O)N(CC)[C@@H](CCC)C(C)=O.CC.CC(C)C.
What is the InChIKey of acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane?
The InChIKey is OSKFFQXSNWLGKG-CFZZCFLMSA-N. The full InChI is InChI=1S/C16H28N2O2.C4H10.C2H6.C2H2/c1-5-7-15(13(4)19)18(6-2)16(20)11-17-12(3)10-14-8-9-14;1-4(2)3;2*1-2/h14-15,17H,3,5-11H2,1-2,4H3;4H,1-3H3;1-2H3;1-2H/t15-;;;/m0.../s1.
What are the key properties of acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane?
acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane has a molecular weight of 394.64 g/mol, XLogP of 5.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;2-(3-cyclopropylprop-1-en-2-ylamino)-N-ethyl-N-[(3S)-2-oxohexan-3-yl]acetamide;ethane;2-methylpropane is sourced from PubChem (CID 143394162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).