N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

C28H29N3O3 — CID 59626548

IUPACN-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESCOc1ccc(CC/C(N)=N/C(=O)c2ccc3c4ccccc4n(C4CCOCC4)c3c2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-22-10-6-19(7-11-22)8-13-27(29)30-28(32)20-9-12-24-23-4-2-3-5-25(23)31(26(24)18-20)21-14-16-34-17-15-21/h2-7,9-12,18,21H,8,13-17H2,1H3,(H2,29,30,32)
InChIKeyYCFFTRAKBFGADA-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.28
Rot. Bonds6

About N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide

N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (PubChem CID 59626548) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
PubChem CID59626548
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
SMILESCOc1ccc(CC/C(N)=N/C(=O)c2ccc3c4ccccc4n(C4CCOCC4)c3c2)cc1
InChIInChI=1S/C28H29N3O3/c1-33-22-10-6-19(7-11-22)8-13-27(29)30-28(32)20-9-12-24-23-4-2-3-5-25(23)31(26(24)18-20)21-14-16-34-17-15-21/h2-7,9-12,18,21H,8,13-17H2,1H3,(H2,29,30,32)
InChIKeyYCFFTRAKBFGADA-UHFFFAOYSA-N
XLogP5.28
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-amino-3-(2-methoxy-6-methylphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
CID 59626430
N-(1-amino-4-hydroxybutylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
CID 59626437
N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
CID 143732928
methyl 9-(oxan-4-yl)carbazole-3-carboxylate
CID 59626411
methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
CID 59626225
methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
CID 59626191
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
9-(4-hydroxycyclohexyl)carbazole-2-carboxylic acid
CID 24992779
N-(1,2-diaminoethylidene)-4-methoxybenzamide
CID 145143005
N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
(4-methoxyphenyl)-[1-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methanone
CID 15169782
amino 1-[(4-methoxyphenyl)methyl]-3-(morpholin-4-ylmethyl)indole-6-carboxylate
CID 67253570

Frequently Asked Questions

What is the IUPAC name of N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The IUPAC name of N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide (CID 59626548) is N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide.
What is the SMILES notation for N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The canonical SMILES for N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is COc1ccc(CC/C(N)=N/C(=O)c2ccc3c4ccccc4n(C4CCOCC4)c3c2)cc1.
What is the InChIKey of N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
The InChIKey is YCFFTRAKBFGADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-33-22-10-6-19(7-11-22)8-13-27(29)30-28(32)20-9-12-24-23-4-2-3-5-25(23)31(26(24)18-20)21-14-16-34-17-15-21/h2-7,9-12,18,21H,8,13-17H2,1H3,(H2,29,30,32).
What are the key properties of N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide?
N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide is sourced from PubChem (CID 59626548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).