N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide

C26H23N3O — CID 175508905

IUPACN-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1c(Cc2ccc3[nH]c4ccccc4c3c2)[nH]c2ccccc12
InChIInChI=1S/C26H23N3O/c1-2-26(30)27-14-13-20-18-7-3-5-9-22(18)29-25(20)16-17-11-12-24-21(15-17)19-8-4-6-10-23(19)28-24/h2-12,15,28-29H,1,13-14,16H2,(H,27,30)
InChIKeyHCUPCXPSGLHXTF-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.24
Rot. Bonds6

About N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide

N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide (PubChem CID 175508905) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide
PubChem CID175508905
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCc1c(Cc2ccc3[nH]c4ccccc4c3c2)[nH]c2ccccc12
InChIInChI=1S/C26H23N3O/c1-2-26(30)27-14-13-20-18-7-3-5-9-22(18)29-25(20)16-17-11-12-24-21(15-17)19-8-4-6-10-23(19)28-24/h2-12,15,28-29H,1,13-14,16H2,(H,27,30)
InChIKeyHCUPCXPSGLHXTF-UHFFFAOYSA-N
XLogP5.24
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide (CID 175508905) is N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide is C=CC(=O)NCCc1c(Cc2ccc3[nH]c4ccccc4c3c2)[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide?
The InChIKey is HCUPCXPSGLHXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-2-26(30)27-14-13-20-18-7-3-5-9-22(18)29-25(20)16-17-11-12-24-21(15-17)19-8-4-6-10-23(19)28-24/h2-12,15,28-29H,1,13-14,16H2,(H,27,30).
What are the key properties of N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide?
N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide has a molecular weight of 393.49 g/mol, XLogP of 5.24, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(9H-carbazol-3-ylmethyl)-1H-indol-3-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 175508905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).