decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide

C30H61N3O3 — CID 143025136

IUPACdecane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide
SMILESC=C(CC(C)(C)C)NCC(=O)N1C[C@H](C)CC1C.CC.CCCCCCCCCC.O=CCNC=O
InChIInChI=1S/C15H28N2O.C10H22.C3H5NO2.C2H6/c1-11-7-13(3)17(10-11)14(18)9-16-12(2)8-15(4,5)6;1-3-5-7-9-10-8-6-4-2;5-2-1-4-3-6;1-2/h11,13,16H,2,7-10H2,1,3-6H3;3-10H2,1-2H3;2-3H,1H2,(H,4,6);1-2H3/t11-,13?;;;/m1.../s1
InChIKeyQOOXOIZAYRWYDO-UNPOMQCHSA-N
MW511.84 g/mol
LogP6.89
Rot. Bonds14

About decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide

decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide (PubChem CID 143025136) has the molecular formula C30H61N3O3 and a molecular weight of 511.84 g/mol. Its IUPAC name is decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide.

Molecular Properties

Compound Namedecane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide
PubChem CID143025136
Molecular FormulaC30H61N3O3
Molecular Weight511.84 g/mol
Exact Mass511.47
IUPAC Namedecane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide
SMILESC=C(CC(C)(C)C)NCC(=O)N1C[C@H](C)CC1C.CC.CCCCCCCCCC.O=CCNC=O
InChIInChI=1S/C15H28N2O.C10H22.C3H5NO2.C2H6/c1-11-7-13(3)17(10-11)14(18)9-16-12(2)8-15(4,5)6;1-3-5-7-9-10-8-6-4-2;5-2-1-4-3-6;1-2/h11,13,16H,2,7-10H2,1,3-6H3;3-10H2,1-2H3;2-3H,1H2,(H,4,6);1-2H3/t11-,13?;;;/m1.../s1
InChIKeyQOOXOIZAYRWYDO-UNPOMQCHSA-N
XLogP6.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.84
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide?
The IUPAC name of decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide (CID 143025136) is decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide.
What is the SMILES notation for decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide?
The canonical SMILES for decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide is C=C(CC(C)(C)C)NCC(=O)N1C[C@H](C)CC1C.CC.CCCCCCCCCC.O=CCNC=O.
What is the InChIKey of decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide?
The InChIKey is QOOXOIZAYRWYDO-UNPOMQCHSA-N. The full InChI is InChI=1S/C15H28N2O.C10H22.C3H5NO2.C2H6/c1-11-7-13(3)17(10-11)14(18)9-16-12(2)8-15(4,5)6;1-3-5-7-9-10-8-6-4-2;5-2-1-4-3-6;1-2/h11,13,16H,2,7-10H2,1,3-6H3;3-10H2,1-2H3;2-3H,1H2,(H,4,6);1-2H3/t11-,13?;;;/m1.../s1.
What are the key properties of decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide?
decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide has a molecular weight of 511.84 g/mol, XLogP of 6.89, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decane;2-(4,4-dimethylpent-1-en-2-ylamino)-1-[(4R)-2,4-dimethylpyrrolidin-1-yl]ethanone;ethane;N-(2-oxoethyl)formamide is sourced from PubChem (CID 143025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).