N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide

C27H27N3O2 — CID 24599874

IUPACN-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-19(30-27(32)21-12-6-3-7-13-21)16-26(31)29-17-23(20-10-4-2-5-11-20)24-18-28-25-15-9-8-14-22(24)25/h2-15,18-19,23,28H,16-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyGQOLMEXXLTUVFJ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.62
Rot. Bonds8

About N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide

N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide (PubChem CID 24599874) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
PubChem CID24599874
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC NameN-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
SMILESCC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C27H27N3O2/c1-19(30-27(32)21-12-6-3-7-13-21)16-26(31)29-17-23(20-10-4-2-5-11-20)24-18-28-25-15-9-8-14-22(24)25/h2-15,18-19,23,28H,16-17H2,1H3,(H,29,31)(H,30,32)
InChIKeyGQOLMEXXLTUVFJ-UHFFFAOYSA-N
XLogP4.62
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
4-chloro-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 8019643
4-(acetamidomethyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 46692237
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
3-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130101
4-cyano-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 2489680
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
N-[4-[[2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide
CID 51195418
2-chloro-N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 35130080
N-[2-(1H-indol-3-yl)-2-phenylethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119680300

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide (CID 24599874) is N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide is CC(CC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
The InChIKey is GQOLMEXXLTUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-19(30-27(32)21-12-6-3-7-13-21)16-26(31)29-17-23(20-10-4-2-5-11-20)24-18-28-25-15-9-8-14-22(24)25/h2-15,18-19,23,28H,16-17H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide?
N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 4.62, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1H-indol-3-yl)-2-phenylethyl]amino]-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 24599874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).