N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide

C20H24N4O2 — CID 11602782

IUPACN-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide
SMILESCC(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CCCC3
InChIInChI=1S/C20H24N4O2/c1-12-18-19(23-22-12)16-10-14-6-3-4-7-15(14)11-17(16)24(20(18)26)9-5-8-21-13(2)25/h10-11H,3-9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHZBHNTBRZHSQNN-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.59
Rot. Bonds4

About N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide

N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide (PubChem CID 11602782) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide
PubChem CID11602782
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide
SMILESCC(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CCCC3
InChIInChI=1S/C20H24N4O2/c1-12-18-19(23-22-12)16-10-14-6-3-4-7-15(14)11-17(16)24(20(18)26)9-5-8-21-13(2)25/h10-11H,3-9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyHZBHNTBRZHSQNN-UHFFFAOYSA-N
XLogP2.59
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]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-[3-(3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 91513865
N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
CID 91668531
8-[3-(4-acetylpiperazin-1-yl)prop-1-ynyl]-5-(3-aminopropyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-8-(3-imidazol-1-ylprop-1-ynyl)-3-methyl-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-morpholin-4-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-piperidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one;5-(3-aminopropyl)-3-methyl-8-(3-pyrrolidin-1-ylprop-1-ynyl)-2H-pyrazolo[4,3-c]quinolin-4-one
CID 158845242
(2R)-2-[[1-(3-acetamidopropyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-2-phenylacetic acid
CID 69473163
N-[3-(4,5,6,7,8,9-hexahydrocycloocta[d]triazol-3-yl)propyl]acetamide
CID 155186756
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
N-(3-pyrrolidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162658
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide
CID 118123401
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
N-[4-(2,3,4,5-tetrahydropyridin-6-yl)butyl]acetamide
CID 102105006
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985

Frequently Asked Questions

What is the IUPAC name of N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide?
The IUPAC name of N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide (CID 11602782) is N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide?
The canonical SMILES for N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide is CC(=O)NCCCn1c(=O)c2c(C)[nH]nc2c2cc3c(cc21)CCCC3.
What is the InChIKey of N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide?
The InChIKey is HZBHNTBRZHSQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-18-19(23-22-12)16-10-14-6-3-4-7-15(14)11-17(16)24(20(18)26)9-5-8-21-13(2)25/h10-11H,3-9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide?
N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(14-methyl-16-oxo-12,13,17-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11,14-pentaen-17-yl)propyl]acetamide is sourced from PubChem (CID 11602782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).