N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

C30H29N3O3 — CID 46254721

IUPACN-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1ccccc1C)CCCN4CCC3
InChIInChI=1S/C30H29N3O3/c1-19-9-3-4-12-24(19)32-30-23(29(34)31-25-13-5-6-14-26(25)35-2)18-21-17-20-10-7-15-33-16-8-11-22(27(20)33)28(21)36-30/h3-6,9,12-14,17-18H,7-8,10-11,15-16H2,1-2H3,(H,31,34)/b32-30-
InChIKeyIWDRUJPWXAAZKP-GCUVURNUSA-N
MW479.58 g/mol
LogP5.93
Rot. Bonds4

About N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (PubChem CID 46254721) has the molecular formula C30H29N3O3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
PubChem CID46254721
Molecular FormulaC30H29N3O3
Molecular Weight479.58 g/mol
Exact Mass479.22
IUPAC NameN-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1ccccc1C)CCCN4CCC3
InChIInChI=1S/C30H29N3O3/c1-19-9-3-4-12-24(19)32-30-23(29(34)31-25-13-5-6-14-26(25)35-2)18-21-17-20-10-7-15-33-16-8-11-22(27(20)33)28(21)36-30/h3-6,9,12-14,17-18H,7-8,10-11,15-16H2,1-2H3,(H,31,34)/b32-30-
InChIKeyIWDRUJPWXAAZKP-GCUVURNUSA-N
XLogP5.93
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-(3,4,5-trimethoxyphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 2134703
4-(2,5-dimethoxyphenyl)imino-N-(3-fluorophenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 46254706
N-phenyl-4-phenylimino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 46254694
N-(4-fluorophenyl)-4-(3-methoxyphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 2137315
4-(3-carbamoylphenyl)imino-N-phenyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 46254651
4-(4-carbamoylphenyl)imino-N-(4-methylphenyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 46254657
N-(3,4-dimethylphenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 2135724
N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 6724835
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-N-(2-fluorophenyl)-8-methoxychromene-3-carboxamide
CID 997934
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
(2Z)-2-(benzenesulfonylhydrazinylidene)-8-methoxy-N-(2-methylphenyl)chromene-3-carboxamide
CID 46257266
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (CID 46254721) is N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is COc1ccccc1NC(=O)c1cc2cc3c4c(c2o/c1=N\c1ccccc1C)CCCN4CCC3.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The InChIKey is IWDRUJPWXAAZKP-GCUVURNUSA-N. The full InChI is InChI=1S/C30H29N3O3/c1-19-9-3-4-12-24(19)32-30-23(29(34)31-25-13-5-6-14-26(25)35-2)18-21-17-20-10-7-15-33-16-8-11-22(27(20)33)28(21)36-30/h3-6,9,12-14,17-18H,7-8,10-11,15-16H2,1-2H3,(H,31,34)/b32-30-.
What are the key properties of N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(2-methylphenyl)imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is sourced from PubChem (CID 46254721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).