N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide

C22H30N2O — CID 25005968

IUPACN-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide
SMILESCCCCCC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1
InChIInChI=1S/C22H30N2O/c1-2-3-5-12-21(25)23-17-14-16-9-8-13-24-20-11-7-4-6-10-18(20)19(15-17)22(16)24/h14-15H,2-13H2,1H3,(H,23,25)
InChIKeySJJHIAVIBLDOQH-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.38
Rot. Bonds5

About N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide

N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide (PubChem CID 25005968) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide.

Molecular Properties

Compound NameN-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide
PubChem CID25005968
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide
SMILESCCCCCC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1
InChIInChI=1S/C22H30N2O/c1-2-3-5-12-21(25)23-17-14-16-9-8-13-24-20-11-7-4-6-10-18(20)19(15-17)22(16)24/h14-15H,2-13H2,1H3,(H,23,25)
InChIKeySJJHIAVIBLDOQH-UHFFFAOYSA-N
XLogP5.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 7526529
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CID 3575091
3,5-bis(tridecanoylamino)benzoic acid
CID 142485960
5-(dodecanoylamino)benzene-1,3-dicarboxylic acid
CID 2832516
N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
CID 43072188
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]hexanamide
CID 24686603
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
N-[3-(piperidine-1-carbonyl)phenyl]tetradecanamide
CID 54791960
N-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526325
N-[3-[[2-(azepan-1-yl)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842689
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044

Frequently Asked Questions

What is the IUPAC name of N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide?
The IUPAC name of N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide (CID 25005968) is N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide.
What is the SMILES notation for N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide?
The canonical SMILES for N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide is CCCCCC(=O)Nc1cc2c3c(c1)c1c(n3CCC2)CCCCC1.
What is the InChIKey of N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide?
The InChIKey is SJJHIAVIBLDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-2-3-5-12-21(25)23-17-14-16-9-8-13-24-20-11-7-4-6-10-18(20)19(15-17)22(16)24/h14-15H,2-13H2,1H3,(H,23,25).
What are the key properties of N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide?
N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide has a molecular weight of 338.50 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azatetracyclo[7.7.1.02,8.013,17]heptadeca-2(8),9,11,13(17)-tetraen-11-yl)hexanamide is sourced from PubChem (CID 25005968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).