N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide

C19H32N4O3 — CID 59660127

IUPACN,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide
SMILESCC(C)(CCCCC(O)CCCCC(C)(C)C(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C19H32N4O3/c1-18(2,16(25)22-13-20)11-7-5-9-15(24)10-6-8-12-19(3,4)17(26)23-14-21/h15,24H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKACSDGJHSAUCSZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.72
Rot. Bonds12

About N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide

N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide (PubChem CID 59660127) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide.

Molecular Properties

Compound NameN,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide
PubChem CID59660127
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC NameN,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide
SMILESCC(C)(CCCCC(O)CCCCC(C)(C)C(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C19H32N4O3/c1-18(2,16(25)22-13-20)11-7-5-9-15(24)10-6-8-12-19(3,4)17(26)23-14-21/h15,24H,5-12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyKACSDGJHSAUCSZ-UHFFFAOYSA-N
XLogP2.72
TPSA126.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
CID 143079876
N-cyano-5-[3-[5-(cyanoamino)-4,4-dimethyl-5-oxopentoxy]propoxy]-2,2-dimethylpentanamide
CID 21303578
dimethyl 7-hydroxy-2,2,12,12-tetramethyltridecanedioate
CID 59660139
N-cyano-4-[2-[4-(cyanoamino)-3,3-dimethyl-4-oxobutyl]sulfanylethylsulfanyl]-2,2-dimethylbutanamide
CID 20633624
7-hydroxy-2,2-dimethyltridecanoic acid
CID 59660145
methyl 14-acetyloxy-8-hydroxy-2,2,14-trimethylpentadecanoate
CID 58937928
2,14-dimethylpentadecane-2,8,14-triol
CID 88582277
N-cyano-2-pentylheptanamide
CID 138478064
2-(10-hydroxyhexadecyl)-2-octadecylicosanoic acid
CID 175431331
N-ethyl-2,2-dimethylheptanamide
CID 168939290
bis(2-heptylnonyl) 8-hydroxy-2,2,14,14-tetramethylpentadecanedioate
CID 169321403
9,9-dimethyldecan-4-ol
CID 18798749

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide?
The IUPAC name of N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide (CID 59660127) is N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide.
What is the SMILES notation for N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide?
The canonical SMILES for N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide is CC(C)(CCCCC(O)CCCCC(C)(C)C(=O)NC#N)C(=O)NC#N.
What is the InChIKey of N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide?
The InChIKey is KACSDGJHSAUCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-18(2,16(25)22-13-20)11-7-5-9-15(24)10-6-8-12-19(3,4)17(26)23-14-21/h15,24H,5-12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide?
N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide has a molecular weight of 364.49 g/mol, XLogP of 2.72, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-7-hydroxy-2,2,12,12-tetramethyltridecanediamide is sourced from PubChem (CID 59660127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).