1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone

C29H27N3O2 — CID 70032830

IUPAC1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone
SMILESNc1cccc(C(=O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)c1
InChIInChI=1S/C29H27N3O2/c30-23-10-6-9-22(17-23)29(33)20-32(19-21-7-2-1-3-8-21)15-16-34-24-13-14-26-25-11-4-5-12-27(25)31-28(26)18-24/h1-14,17-18,31H,15-16,19-20,30H2
InChIKeyXYFHRGCJMODEBL-UHFFFAOYSA-N
MW449.55 g/mol
LogP5.67
Rot. Bonds9

About 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone

1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone (PubChem CID 70032830) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone
PubChem CID70032830
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Name1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone
SMILESNc1cccc(C(=O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)c1
InChIInChI=1S/C29H27N3O2/c30-23-10-6-9-22(17-23)29(33)20-32(19-21-7-2-1-3-8-21)15-16-34-24-13-14-26-25-11-4-5-12-27(25)31-28(26)18-24/h1-14,17-18,31H,15-16,19-20,30H2
InChIKeyXYFHRGCJMODEBL-UHFFFAOYSA-N
XLogP5.67
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(diethylamino)ethoxy]-10H-acridin-9-one
CID 24991441
2-[benzyl(2-dibenzothiophen-3-yloxyethyl)amino]-1-(4-bromo-3-nitrophenyl)ethanone
CID 70031304
1-[3-[2-(dibenzylamino)ethoxy]phenyl]-2-(3-phenylmethoxyphenyl)ethanone
CID 173192077
N-[5-[2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]-1-hydroxyethyl]-2-chlorophenyl]methanesulfonamide;ethane
CID 142048383
N-benzyl-N-[5-[2-[benzyl(2-dibenzothiophen-3-yloxyethyl)amino]acetyl]-2-chlorophenyl]methanesulfonamide
CID 70033963
1-(3-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82071639
2-[benzyl(phenacyl)amino]-1-phenylethanone;hydrobromide
CID 14149400
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756
2-(9H-carbazol-2-yloxy)-N-phenylacetamide
CID 7714190
N-benzyl-N-[5-[2-[[3-(9H-carbazol-2-yloxy)-1-phenylpropyl]amino]acetyl]-2-chlorophenyl]methanesulfonamide;hydrochloride
CID 70032911

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone (CID 70032830) is 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone is Nc1cccc(C(=O)CN(CCOc2ccc3c(c2)[nH]c2ccccc23)Cc2ccccc2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone?
The InChIKey is XYFHRGCJMODEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c30-23-10-6-9-22(17-23)29(33)20-32(19-21-7-2-1-3-8-21)15-16-34-24-13-14-26-25-11-4-5-12-27(25)31-28(26)18-24/h1-14,17-18,31H,15-16,19-20,30H2.
What are the key properties of 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone?
1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone has a molecular weight of 449.55 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[benzyl-[2-(9H-carbazol-2-yloxy)ethyl]amino]ethanone is sourced from PubChem (CID 70032830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).