(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide

C23H27N3O2 — CID 110286296

IUPAC(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-16(2)25-23(28)21(14-18-15-24-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-11,15-16,21,24H,12-14H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyDHXSRAWKXCIVKG-NRFANRHFSA-N
MW377.49 g/mol
LogP3.35
Rot. Bonds8

About (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide

(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide (PubChem CID 110286296) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
PubChem CID110286296
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-16(2)25-23(28)21(14-18-15-24-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-11,15-16,21,24H,12-14H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyDHXSRAWKXCIVKG-NRFANRHFSA-N
XLogP3.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-pyridin-4-ylpropanamide
CID 72703895
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
CID 55940416
methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(3-phenylpropanoyloxy)acetyl]amino]propanoate
CID 9016419
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
CID 18491694
(2S)-2-[3-(2-chlorophenyl)propanoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 41119859
4-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-1-[[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 11845494
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262355
3-(1H-indol-3-yl)-2-[(2-phenoxyacetyl)amino]-N-(2-phenylethyl)propanamide
CID 42701396

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide (CID 110286296) is (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccccc1.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide?
The InChIKey is DHXSRAWKXCIVKG-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)25-23(28)21(14-18-15-24-20-11-7-6-10-19(18)20)26-22(27)13-12-17-8-4-3-5-9-17/h3-11,15-16,21,24H,12-14H2,1-2H3,(H,25,28)(H,26,27)/t21-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide?
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide has a molecular weight of 377.49 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 110286296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).