3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide

C27H27N3O3 — CID 42701396

IUPAC3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H27N3O3/c31-26(19-33-22-11-5-2-6-12-22)30-25(17-21-18-29-24-14-8-7-13-23(21)24)27(32)28-16-15-20-9-3-1-4-10-20/h1-14,18,25,29H,15-17,19H2,(H,28,32)(H,30,31)
InChIKeyDUKSGSDXVQQDDB-UHFFFAOYSA-N
MW441.53 g/mol
LogP3.63
Rot. Bonds10

About 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide

3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide (PubChem CID 42701396) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
PubChem CID42701396
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
SMILESO=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C27H27N3O3/c31-26(19-33-22-11-5-2-6-12-22)30-25(17-21-18-29-24-14-8-7-13-23(21)24)27(32)28-16-15-20-9-3-1-4-10-20/h1-14,18,25,29H,15-17,19H2,(H,28,32)(H,30,31)
InChIKeyDUKSGSDXVQQDDB-UHFFFAOYSA-N
XLogP3.63
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]propanoic acid
CID 2787525
N-[2-(1H-indol-3-yl)ethyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 55329559
(2R)-2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 10918400
(2R)-2-[[2-(4-tert-butylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 7232561
amino (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 92842789
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 6963896
(2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 6958099
3-(1H-indol-3-yl)-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 53263905
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
benzyl N-[3-(1H-indol-3-yl)-1-[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethylamino]-1-oxopropan-2-yl]carbamate
CID 67400051
(2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylphenoxy)acetyl]amino]propanoate
CID 6972941
methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]propanoate
CID 9016419

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide (CID 42701396) is 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide is O=C(COc1ccccc1)NC(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide?
The InChIKey is DUKSGSDXVQQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-26(19-33-22-11-5-2-6-12-22)30-25(17-21-18-29-24-14-8-7-13-23(21)24)27(32)28-16-15-20-9-3-1-4-10-20/h1-14,18,25,29H,15-17,19H2,(H,28,32)(H,30,31).
What are the key properties of 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide?
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide has a molecular weight of 441.53 g/mol, XLogP of 3.63, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 42701396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).