N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide

C22H25NO — CID 18941436

IUPACN-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC1(C)Cc3ccccc3C1CC2C
InChIInChI=1S/C22H25NO/c1-14-10-21-20-7-5-4-6-16(20)12-22(21,3)13-17-11-18(23-15(2)24)8-9-19(14)17/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,23,24)
InChIKeyZGQWVMOPEQSVOJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.04
Rot. Bonds1

About N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide

N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide (PubChem CID 18941436) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide.

Molecular Properties

Compound NameN-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide
PubChem CID18941436
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC NameN-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CC1(C)Cc3ccccc3C1CC2C
InChIInChI=1S/C22H25NO/c1-14-10-21-20-7-5-4-6-16(20)12-22(21,3)13-17-11-18(23-15(2)24)8-9-19(14)17/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,23,24)
InChIKeyZGQWVMOPEQSVOJ-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(3-methyl-2,3-dihydro-1H-indol-5-yl)acetamide
CID 119085478
N-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2(7),3,5,9,11,13-hexaen-4-yl)acetamide
CID 155554187
N-[3-(4,4-dimethyl-1,3-dihydroisoquinoline-2-carbonyl)phenyl]acetamide
CID 110750127
N-[2,2,4-trimethyl-1-(1-phenoxyethyl)-3,4-dihydroquinolin-7-yl]acetamide
CID 70468051
N-[3-(2,3-dihydro-1H-inden-1-ylamino)-4-fluorophenyl]acetamide
CID 43672603
N-[(4R)-4-amino-3,4-dihydro-1H-isochromen-7-yl]acetamide
CID 131380829
3-acetamido-N-[(5S,6S)-6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 99784164
N-[(1aR,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromen-6-yl]acetamide
CID 129383167
N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
N-(4-phenylphenyl)acetamide
CID 19998
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039

Frequently Asked Questions

What is the IUPAC name of N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide?
The IUPAC name of N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide (CID 18941436) is N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide.
What is the SMILES notation for N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide?
The canonical SMILES for N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide is CC(=O)Nc1ccc2c(c1)CC1(C)Cc3ccccc3C1CC2C.
What is the InChIKey of N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide?
The InChIKey is ZGQWVMOPEQSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-14-10-21-20-7-5-4-6-16(20)12-22(21,3)13-17-11-18(23-15(2)24)8-9-19(14)17/h4-9,11,14,21H,10,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide?
N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide has a molecular weight of 319.45 g/mol, XLogP of 5.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dimethyl-5-tetracyclo[9.7.0.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaenyl)acetamide is sourced from PubChem (CID 18941436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).