tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone

C62H116N6O6 — CID 145434379

IUPACtetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)C3)cc2)C1.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O
InChIInChI=1S/C18H24N2O2.4C11H23NO/c1-13-7-9-19(11-13)17(21)15-3-5-16(6-4-15)18(22)20-10-8-14(2)12-20;4*1-2-3-4-5-6-7-8-9-10-12-11-13/h3-6,13-14H,7-12H2,1-2H3;4*11H,2-10H2,1H3,(H,12,13)
InChIKeyHXZJDYOYQUZHQW-UHFFFAOYSA-N
MW1041.65 g/mol
LogP14.14
Rot. Bonds42

About tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone

tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 145434379) has the molecular formula C62H116N6O6 and a molecular weight of 1041.65 g/mol. Its IUPAC name is tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nametetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID145434379
Molecular FormulaC62H116N6O6
Molecular Weight1041.65 g/mol
Exact Mass1040.90
IUPAC Nametetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)C3)cc2)C1.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O
InChIInChI=1S/C18H24N2O2.4C11H23NO/c1-13-7-9-19(11-13)17(21)15-3-5-16(6-4-15)18(22)20-10-8-14(2)12-20;4*1-2-3-4-5-6-7-8-9-10-12-11-13/h3-6,13-14H,7-12H2,1-2H3;4*11H,2-10H2,1H3,(H,12,13)
InChIKeyHXZJDYOYQUZHQW-UHFFFAOYSA-N
XLogP14.14
TPSA157.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds42
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.65
LogP ≤ 514.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-methylpyrrolidin-1-yl)-[4-(propylamino)phenyl]methanone
CID 62179564
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489
[3-methyl-4-(propylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 63213608
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
(1-benzoylpyrrolidin-3-yl) octanoate
CID 54214198
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]octanamide
CID 43886892
(4-methylazepan-1-yl)-[4-(propylamino)phenyl]methanone
CID 63626184

Frequently Asked Questions

What is the IUPAC name of tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone (CID 145434379) is tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)C3)cc2)C1.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.CCCCCCCCCCNC=O.
What is the InChIKey of tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is HXZJDYOYQUZHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.4C11H23NO/c1-13-7-9-19(11-13)17(21)15-3-5-16(6-4-15)18(22)20-10-8-14(2)12-20;4*1-2-3-4-5-6-7-8-9-10-12-11-13/h3-6,13-14H,7-12H2,1-2H3;4*11H,2-10H2,1H3,(H,12,13).
What are the key properties of tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone?
tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 1041.65 g/mol, XLogP of 14.14, 42 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-decylformamide);[4-(3-methylpyrrolidine-1-carbonyl)phenyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 145434379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).