N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

C16H27N3O2 — CID 131983512

IUPACN-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESCC#CCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C16H27N3O2/c1-3-4-5-9-12-17-15(20)11-8-6-7-10-14-13(2)18-16(21)19-14/h13-14H,5-12H2,1-2H3,(H,17,20)(H2,18,19,21)/t13-,14+/m0/s1
InChIKeyAJWICRIQOBCXPG-UONOGXRCSA-N
MW293.41 g/mol
LogP1.93
Rot. Bonds9

About N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide

N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (PubChem CID 131983512) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.

Molecular Properties

Compound NameN-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
PubChem CID131983512
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
SMILESCC#CCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C
InChIInChI=1S/C16H27N3O2/c1-3-4-5-9-12-17-15(20)11-8-6-7-10-14-13(2)18-16(21)19-14/h13-14H,5-12H2,1-2H3,(H,17,20)(H2,18,19,21)/t13-,14+/m0/s1
InChIKeyAJWICRIQOBCXPG-UONOGXRCSA-N
XLogP1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 91759535
(2,5-dioxopyrrolidin-1-yl) 6-[6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoylamino]hexanoate
CID 101206729
4-methyl-5-(6-oxoheptyl)imidazolidin-2-one
CID 155283579
N-[2-(dodec-10-ynoylamino)ethyl]dodec-10-ynamide
CID 10993436
6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoate
CID 25244917
5-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]pentanoic acid
CID 2054868
N-[2-[3-[3-(azidomethoxy)propoxy]propoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 102339873
methyl 5-(5-methyl-2-oxoimidazolidin-4-yl)pentanoate
CID 101336229
N-(3,5-dimethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5305481
N-(1-adamantyl)-6-[(4S,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
CID 7344299
N-(1-adamantyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 5300977
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]-N-(4-methylphenyl)hexanamide
CID 2226567

Frequently Asked Questions

What is the IUPAC name of N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The IUPAC name of N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide (CID 131983512) is N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide.
What is the SMILES notation for N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The canonical SMILES for N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is CC#CCCCNC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C.
What is the InChIKey of N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
The InChIKey is AJWICRIQOBCXPG-UONOGXRCSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-5-9-12-17-15(20)11-8-6-7-10-14-13(2)18-16(21)19-14/h13-14H,5-12H2,1-2H3,(H,17,20)(H2,18,19,21)/t13-,14+/m0/s1.
What are the key properties of N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide?
N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide has a molecular weight of 293.41 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-4-ynyl-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide is sourced from PubChem (CID 131983512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).