ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol

C20H41NO3 — CID 168959279

IUPACethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol
SMILESCC.CCC#CCC(C)OCC(C)(C)C(=O)N(C)CC(C)C.CO
InChIInChI=1S/C17H31NO2.C2H6.CH4O/c1-8-9-10-11-15(4)20-13-17(5,6)16(19)18(7)12-14(2)3;2*1-2/h14-15H,8,11-13H2,1-7H3;1-2H3;2H,1H3
InChIKeyHSYIDUREUYLYSS-UHFFFAOYSA-N
MW343.55 g/mol
LogP3.97
Rot. Bonds7

About ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol

ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol (PubChem CID 168959279) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol.

Molecular Properties

Compound Nameethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol
PubChem CID168959279
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC Nameethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol
SMILESCC.CCC#CCC(C)OCC(C)(C)C(=O)N(C)CC(C)C.CO
InChIInChI=1S/C17H31NO2.C2H6.CH4O/c1-8-9-10-11-15(4)20-13-17(5,6)16(19)18(7)12-14(2)3;2*1-2/h14-15H,8,11-13H2,1-7H3;1-2H3;2H,1H3
InChIKeyHSYIDUREUYLYSS-UHFFFAOYSA-N
XLogP3.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-[methyl(2-methylpropyl)amino]-3-oxopropanoate
CID 115174770
2-(ethylamino)-N,2-dimethyl-N-(2-methylpropyl)propanamide
CID 62833280
hept-4-yn-2-yl methyl carbonate
CID 139642735
2-amino-2-cyclopropyl-N-methyl-N-(2-methylpropyl)propanamide
CID 60867332
2,2-dimethyl-3-(4-methylpentan-2-yloxy)propanoic acid
CID 79622869
3-butan-2-yloxy-2,2-dimethylpropanehydrazide
CID 79628507
3-chloro-N,2,2-trimethyl-N-(2-methylbutyl)propanamide
CID 63680154
N-methyl-N-(2-methylpropyl)-3-propan-2-yloxypropanamide
CID 164715630
(2S)-hept-4-yn-2-ol
CID 7568791
N-(2-amino-3-methoxypropyl)-N,2,2-trimethylbutanamide
CID 63754024
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
methyl 2,2-dimethyl-3-pentan-2-yloxypropanoate
CID 102980035

Frequently Asked Questions

What is the IUPAC name of ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol?
The IUPAC name of ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol (CID 168959279) is ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol.
What is the SMILES notation for ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol?
The canonical SMILES for ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol is CC.CCC#CCC(C)OCC(C)(C)C(=O)N(C)CC(C)C.CO.
What is the InChIKey of ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol?
The InChIKey is HSYIDUREUYLYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.C2H6.CH4O/c1-8-9-10-11-15(4)20-13-17(5,6)16(19)18(7)12-14(2)3;2*1-2/h14-15H,8,11-13H2,1-7H3;1-2H3;2H,1H3.
What are the key properties of ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol?
ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol has a molecular weight of 343.55 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-hept-4-yn-2-yloxy-N,2,2-trimethyl-N-(2-methylpropyl)propanamide;methanol is sourced from PubChem (CID 168959279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).