2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide

C23H43N3O3 — CID 167083068

IUPAC2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide
SMILESCC(C)(N)CC(C)(C)CC(=O)NC1CCC1C(=O)NC(C)(C)CC(C)(C)CC=O
InChIInChI=1S/C23H43N3O3/c1-20(2,11-12-27)15-23(7,8)26-19(29)16-9-10-17(16)25-18(28)13-21(3,4)14-22(5,6)24/h12,16-17H,9-11,13-15,24H2,1-8H3,(H,25,28)(H,26,29)
InChIKeyUPEVAMZENRLHMI-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.33
Rot. Bonds11

About 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide

2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide (PubChem CID 167083068) has the molecular formula C23H43N3O3 and a molecular weight of 409.62 g/mol. Its IUPAC name is 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide
PubChem CID167083068
Molecular FormulaC23H43N3O3
Molecular Weight409.62 g/mol
Exact Mass409.33
IUPAC Name2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide
SMILESCC(C)(N)CC(C)(C)CC(=O)NC1CCC1C(=O)NC(C)(C)CC(C)(C)CC=O
InChIInChI=1S/C23H43N3O3/c1-20(2,11-12-27)15-23(7,8)26-19(29)16-9-10-17(16)25-18(28)13-21(3,4)14-22(5,6)24/h12,16-17H,9-11,13-15,24H2,1-8H3,(H,25,28)(H,26,29)
InChIKeyUPEVAMZENRLHMI-UHFFFAOYSA-N
XLogP3.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(2,2,4,4-Tetramethylcyclobutane-1,3-diyl)bis(2-ethylhexanamide)
CID 71390925
N-[3,3,5-trimethyl-5-(methylamino)-1-oxohexan-2-yl]acetamide
CID 89975826
N-[3-ethyl-3,5-dimethyl-5-(methylamino)-1-oxohexan-2-yl]acetamide
CID 89975835
4-formamido-2-methyl-N-(2,4,4-trimethylpentan-2-yl)hexanamide
CID 118297973
4-(butanoylamino)-N-(cyclobutylmethyl)-3,3-dimethylhexanamide
CID 123584868
(5S)-5-acetamido-N-[(2R)-3,3-dimethyl-6-(3-methylpentan-3-ylamino)-6-oxohexan-2-yl]-4,4-dimethylhexanamide
CID 141985015
butanamide;N-[4-formyl-4-(methylaminomethyl)cyclohexyl]-2-methylpropanamide
CID 142283718
N-[5-(ethylamino)-3,3,5-trimethyl-1-oxohexan-2-yl]butanamide
CID 142477708
ethane;2,2,4-trimethyl-N-[4-methyl-5-(methylamino)pentan-2-yl]-5-oxopentanamide
CID 145023142
2,2-dimethyl-5-(3-methylbutanoylamino)-N-[2-methyl-6-oxo-6-(propan-2-ylamino)hexan-2-yl]hexanamide
CID 155027044
ethane;6-(ethylamino)-N-(4-methylpentyl)hexanamide;N-methylpentan-1-amine;5-(propan-2-ylamino)pentanal
CID 166554627
4-amino-5-tert-butyl-2-(4-formyl-2,3,3,4-tetramethylhexan-2-yl)-3,3,4-trimethyl-N'-propan-2-ylhexanediamide
CID 170143996

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide (CID 167083068) is 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide is CC(C)(N)CC(C)(C)CC(=O)NC1CCC1C(=O)NC(C)(C)CC(C)(C)CC=O.
What is the InChIKey of 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is UPEVAMZENRLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O3/c1-20(2,11-12-27)15-23(7,8)26-19(29)16-9-10-17(16)25-18(28)13-21(3,4)14-22(5,6)24/h12,16-17H,9-11,13-15,24H2,1-8H3,(H,25,28)(H,26,29).
What are the key properties of 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide?
2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 409.62 g/mol, XLogP of 3.33, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3,3,5-trimethylhexanoyl)amino]-N-(2,4,4-trimethyl-6-oxohexan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167083068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).