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

C30H28N4O3 — CID 46254657

IUPAC4-(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
SMILESCc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=N\c2ccc(C(N)=O)cc2)CCCN5CCC4)cc1
InChIInChI=1S/C30H28N4O3/c1-18-6-10-22(11-7-18)32-29(36)25-17-21-16-20-4-2-14-34-15-3-5-24(26(20)34)27(21)37-30(25)33-23-12-8-19(9-13-23)28(31)35/h6-13,16-17H,2-5,14-15H2,1H3,(H2,31,35)(H,32,36)/b33-30-
InChIKeySJCUCVKTAPXCRR-MEIHLTSWSA-N
MW492.58 g/mol
LogP5.02
Rot. Bonds4

About 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

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 (PubChem CID 46254657) has the molecular formula C30H28N4O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID46254657
Molecular FormulaC30H28N4O3
Molecular Weight492.58 g/mol
Exact Mass492.22
IUPAC Name4-(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
SMILESCc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=N\c2ccc(C(N)=O)cc2)CCCN5CCC4)cc1
InChIInChI=1S/C30H28N4O3/c1-18-6-10-22(11-7-18)32-29(36)25-17-21-16-20-4-2-14-34-15-3-5-24(26(20)34)27(21)37-30(25)33-23-12-8-19(9-13-23)28(31)35/h6-13,16-17H,2-5,14-15H2,1H3,(H2,31,35)(H,32,36)/b33-30-
InChIKeySJCUCVKTAPXCRR-MEIHLTSWSA-N
XLogP5.02
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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CID 2135723
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CID 155515037
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4-imino-N-(3-methoxyphenyl)-3-oxa-13-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
CID 7125814
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N-[(2S)-1-[[(E)-4-(dibenzylamino)-4-oxobut-2-enyl]amino]-4-methyl-1-oxopentan-2-yl]-4-(4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)benzamide
CID 166629031

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(NC(=O)c2cc3cc4c5c(c3o/c2=N\c2ccc(C(N)=O)cc2)CCCN5CCC4)cc1.
What is the InChIKey of 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?
The InChIKey is SJCUCVKTAPXCRR-MEIHLTSWSA-N. The full InChI is InChI=1S/C30H28N4O3/c1-18-6-10-22(11-7-18)32-29(36)25-17-21-16-20-4-2-14-34-15-3-5-24(26(20)34)27(21)37-30(25)33-23-12-8-19(9-13-23)28(31)35/h6-13,16-17H,2-5,14-15H2,1H3,(H2,31,35)(H,32,36)/b33-30-.
What are the key properties of 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?
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 has a molecular weight of 492.58 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46254657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).