N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide

C21H29N3O3 — CID 10292630

IUPACN-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide
SMILESCOc1cccc2c1CCN1C(=O)C3CCCC(C21)N3C(=O)NC(C)(C)C
InChIInChI=1S/C21H29N3O3/c1-21(2,3)22-20(26)24-15-8-6-9-16(24)19(25)23-12-11-13-14(18(15)23)7-5-10-17(13)27-4/h5,7,10,15-16,18H,6,8-9,11-12H2,1-4H3,(H,22,26)
InChIKeyMBJDIFHLOYHCPG-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.87
Rot. Bonds1

About N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide

N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide (PubChem CID 10292630) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide
PubChem CID10292630
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide
SMILESCOc1cccc2c1CCN1C(=O)C3CCCC(C21)N3C(=O)NC(C)(C)C
InChIInChI=1S/C21H29N3O3/c1-21(2,3)22-20(26)24-15-8-6-9-16(24)19(25)23-12-11-13-14(18(15)23)7-5-10-17(13)27-4/h5,7,10,15-16,18H,6,8-9,11-12H2,1-4H3,(H,22,26)
InChIKeyMBJDIFHLOYHCPG-UHFFFAOYSA-N
XLogP2.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide with MolForge

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Related Compounds

1-(13-oxo-12,18-diazatetracyclo[12.3.1.02,12.03,8]octadeca-3,5,7-trien-18-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 21363715
1-[(2S)-5,7-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl]-3,3-dimethylpentane-1,2-dione
CID 59099971
1-(4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 24860365
N-(2,4-difluorophenyl)-6-methoxy-17-methyl-11-oxo-10,16-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-2(7),3,5-triene-15-carboxamide
CID 142184723
1-[(1R,13S)-4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl]-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
CID 11612932
1-(2-chlorophenyl)-2-[(1R,13S)-4,6-dimethoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-trien-17-yl]ethane-1,2-dione
CID 11669966
S-methyl 5-methoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carbothioate
CID 12541345
[4-(dimethylamino)cyclohexyl]-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 166285354
5-benzoyl-16,18-dimethoxy-3,11-diazapentacyclo[9.8.0.02,5.03,9.014,19]nonadeca-14(19),15,17-trien-10-one
CID 142184570
1-(6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl)propan-1-one
CID 19021486
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
(2R)-2-[(4-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-1-methylpyrrolidine
CID 178102515

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide?
The IUPAC name of N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide (CID 10292630) is N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide.
What is the SMILES notation for N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide?
The canonical SMILES for N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide is COc1cccc2c1CCN1C(=O)C3CCCC(C21)N3C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide?
The InChIKey is MBJDIFHLOYHCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-21(2,3)22-20(26)24-15-8-6-9-16(24)19(25)23-12-11-13-14(18(15)23)7-5-10-17(13)27-4/h5,7,10,15-16,18H,6,8-9,11-12H2,1-4H3,(H,22,26).
What are the key properties of N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide?
N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7-methoxy-12-oxo-11,17-diazatetracyclo[11.3.1.02,11.03,8]heptadeca-3(8),4,6-triene-17-carboxamide is sourced from PubChem (CID 10292630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).