2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide

C27H48N4O4 — CID 159625600

IUPAC2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
SMILESO=C(CCCCCCCNCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C27H48N4O4/c32-24(30-22-14-6-9-17-25(30)33)16-8-2-1-3-11-19-28-20-12-4-5-13-21-29-27(35)31-23-15-7-10-18-26(31)34/h28H,1-23H2,(H,29,35)
InChIKeyVIYMXMOGHDHVEU-UHFFFAOYSA-N
MW492.71 g/mol
LogP4.52
Rot. Bonds15

About 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide

2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide (PubChem CID 159625600) has the molecular formula C27H48N4O4 and a molecular weight of 492.71 g/mol. Its IUPAC name is 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
PubChem CID159625600
Molecular FormulaC27H48N4O4
Molecular Weight492.71 g/mol
Exact Mass492.37
IUPAC Name2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide
SMILESO=C(CCCCCCCNCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O
InChIInChI=1S/C27H48N4O4/c32-24(30-22-14-6-9-17-25(30)33)16-8-2-1-3-11-19-28-20-12-4-5-13-21-29-27(35)31-23-15-7-10-18-26(31)34/h28H,1-23H2,(H,29,35)
InChIKeyVIYMXMOGHDHVEU-UHFFFAOYSA-N
XLogP4.52
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.71
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide with MolForge

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Related Compounds

1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
1-nonadec-18-enoylazepan-2-one
CID 19855822
N-(4-anilino-4-oxobutyl)-2-oxoazepane-1-carboxamide
CID 134938916
1-decanoylpyrrolidin-2-one
CID 11021000
molecular hydrogen;2-[(2-oxoazocane-1-carbonyl)amino]ethyl 2-methylprop-2-enoate
CID 145345564
10-amino-1-[[3-oxo-3-(2-oxoazepan-1-yl)propyl]-(2-sulfanylethyl)amino]decane-3,5-dione
CID 130316643
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
1-[9-(ethylamino)-3-methyl-4-oxononan-3-yl]azepan-2-one
CID 71052496
1-[7-(ethylamino)-2-oxo-1-phosphanylheptyl]azepan-2-one
CID 71135620
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
1-(2,2-dideuterio-5-phenylpentanoyl)azepan-2-one
CID 102595226
CID 89164146
CID 89164146

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide?
The IUPAC name of 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide (CID 159625600) is 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide?
The canonical SMILES for 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide is O=C(CCCCCCCNCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O.
What is the InChIKey of 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide?
The InChIKey is VIYMXMOGHDHVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N4O4/c32-24(30-22-14-6-9-17-25(30)33)16-8-2-1-3-11-19-28-20-12-4-5-13-21-29-27(35)31-23-15-7-10-18-26(31)34/h28H,1-23H2,(H,29,35).
What are the key properties of 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide?
2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide has a molecular weight of 492.71 g/mol, XLogP of 4.52, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[6-[[8-oxo-8-(2-oxoazepan-1-yl)octyl]amino]hexyl]azepane-1-carboxamide is sourced from PubChem (CID 159625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).