N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide

C20H25N5O2 — CID 167100519

IUPACN-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N2CCn3nc4c(c3C2=O)CN[C@H](C)C4)c1
InChIInChI=1S/C20H25N5O2/c1-12-9-18-17(11-21-12)19-20(27)24(7-8-25(19)23-18)13(2)15-5-4-6-16(10-15)22-14(3)26/h4-6,10,12-13,21H,7-9,11H2,1-3H3,(H,22,26)/t12-,13?/m1/s1
InChIKeyIKHCUBONCZMDQY-PZORYLMUSA-N
MW367.45 g/mol
LogP2.09
Rot. Bonds3

About N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide

N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide (PubChem CID 167100519) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide
PubChem CID167100519
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N2CCn3nc4c(c3C2=O)CN[C@H](C)C4)c1
InChIInChI=1S/C20H25N5O2/c1-12-9-18-17(11-21-12)19-20(27)24(7-8-25(19)23-18)13(2)15-5-4-6-16(10-15)22-14(3)26/h4-6,10,12-13,21H,7-9,11H2,1-3H3,(H,22,26)/t12-,13?/m1/s1
InChIKeyIKHCUBONCZMDQY-PZORYLMUSA-N
XLogP2.09
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide with MolForge

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Related Compounds

(6R,11R)-6,11-dimethyl-4-[1-(6-prop-1-en-2-yl-3-pyridinyl)ethyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 171475107
N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide
CID 97102372
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
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N-[3-[1-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 43206478
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
N-[3-[1-[(1,3-dimethylpiperidin-4-yl)amino]ethyl]phenyl]acetamide
CID 115708260
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CID 82216344
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N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
CID 104956122
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CID 120776587
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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide (CID 167100519) is N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)N2CCn3nc4c(c3C2=O)CN[C@H](C)C4)c1.
What is the InChIKey of N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide?
The InChIKey is IKHCUBONCZMDQY-PZORYLMUSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-12-9-18-17(11-21-12)19-20(27)24(7-8-25(19)23-18)13(2)15-5-4-6-16(10-15)22-14(3)26/h4-6,10,12-13,21H,7-9,11H2,1-3H3,(H,22,26)/t12-,13?/m1/s1.
What are the key properties of N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide?
N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(11R)-11-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-4-yl]ethyl]phenyl]acetamide is sourced from PubChem (CID 167100519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).