N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide

C45H82N4O5 — CID 152904698

IUPACN-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C45H82N4O5/c1-4-6-8-10-12-14-16-18-20-22-24-33-42(51)48-36-28-31-40(48)44(53)46-35-27-26-30-39(38(3)50)47-45(54)41-32-29-37-49(41)43(52)34-25-23-21-19-17-15-13-11-9-7-5-2/h39-41H,4-37H2,1-3H3,(H,46,53)(H,47,54)
InChIKeyUFZUYFIITOVQTB-UHFFFAOYSA-N
MW759.17 g/mol
LogP9.73
Rot. Bonds33

About N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide

N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide (PubChem CID 152904698) has the molecular formula C45H82N4O5 and a molecular weight of 759.17 g/mol. Its IUPAC name is N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
PubChem CID152904698
Molecular FormulaC45H82N4O5
Molecular Weight759.17 g/mol
Exact Mass758.63
IUPAC NameN-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCC)C(C)=O
InChIInChI=1S/C45H82N4O5/c1-4-6-8-10-12-14-16-18-20-22-24-33-42(51)48-36-28-31-40(48)44(53)46-35-27-26-30-39(38(3)50)47-45(54)41-32-29-37-49(41)43(52)34-25-23-21-19-17-15-13-11-9-7-5-2/h39-41H,4-37H2,1-3H3,(H,46,53)(H,47,54)
InChIKeyUFZUYFIITOVQTB-UHFFFAOYSA-N
XLogP9.73
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds33
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.17
LogP ≤ 59.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-1-nonanoylpyrrolidine-2-carboxamide
CID 23503481
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
N-(6-aminohexyl)-1-tridecanoylpiperidine-2-carboxamide
CID 23503497
5-[2-(methylamino)ethylamino]-5-oxo-4-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 149390976
(2S)-N-(3-aminopropyl)-1-undecanoylpiperidine-2-carboxamide
CID 69288111
4-[(1-acetylpyrrolidine-2-carbonyl)amino]-5-[[5-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-4-carboxybutanoyl]amino]-6-oxoheptyl]amino]-5-oxopentanoic acid
CID 139482149
tert-butyl N-[6-[(1-tridecanoylpiperidine-2-carbonyl)amino]hexyl]carbamate
CID 69287176
sodium 5-[3-[2-[2-[3-(methylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxo-4-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]pentanoate
CID 153428515
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2R)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2S)-N-(3-aminopropyl)-1-nonanoylpiperidine-2-carboxamide;(2R)-1-octanoylpiperidine-2-carboxylic acid;pentane-1,5-diamine
CID 172840576
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047

Frequently Asked Questions

What is the IUPAC name of N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide (CID 152904698) is N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide is CCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCCCCC(NC(=O)C1CCCN1C(=O)CCCCCCCCCCCCC)C(C)=O.
What is the InChIKey of N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide?
The InChIKey is UFZUYFIITOVQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H82N4O5/c1-4-6-8-10-12-14-16-18-20-22-24-33-42(51)48-36-28-31-40(48)44(53)46-35-27-26-30-39(38(3)50)47-45(54)41-32-29-37-49(41)43(52)34-25-23-21-19-17-15-13-11-9-7-5-2/h39-41H,4-37H2,1-3H3,(H,46,53)(H,47,54).
What are the key properties of N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide?
N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide has a molecular weight of 759.17 g/mol, XLogP of 9.73, 33 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-oxo-5-[(1-tetradecanoylpyrrolidine-2-carbonyl)amino]heptyl]-1-tetradecanoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 152904698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).