1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide

C21H24N4O3 — CID 135292912

IUPAC1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1c2ccccc2CC1C(N)=O)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-13(23-2)20(27)24-18(14-8-4-3-5-9-14)21(28)25-16-11-7-6-10-15(16)12-17(25)19(22)26/h3-11,13,17-18,23H,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,17?,18?/m0/s1
InChIKeyKKAYVCMQRFGAAY-TZYSRNFLSA-N
MW380.45 g/mol
LogP0.89
Rot. Bonds6

About 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide

1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 135292912) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide
PubChem CID135292912
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide
SMILESCN[C@@H](C)C(=O)NC(C(=O)N1c2ccccc2CC1C(N)=O)c1ccccc1
InChIInChI=1S/C21H24N4O3/c1-13(23-2)20(27)24-18(14-8-4-3-5-9-14)21(28)25-16-11-7-6-10-15(16)12-17(25)19(22)26/h3-11,13,17-18,23H,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,17?,18?/m0/s1
InChIKeyKKAYVCMQRFGAAY-TZYSRNFLSA-N
XLogP0.89
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide (CID 135292912) is 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide is CN[C@@H](C)C(=O)NC(C(=O)N1c2ccccc2CC1C(N)=O)c1ccccc1.
What is the InChIKey of 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is KKAYVCMQRFGAAY-TZYSRNFLSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13(23-2)20(27)24-18(14-8-4-3-5-9-14)21(28)25-16-11-7-6-10-15(16)12-17(25)19(22)26/h3-11,13,17-18,23H,12H2,1-2H3,(H2,22,26)(H,24,27)/t13-,17?,18?/m0/s1.
What are the key properties of 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide?
1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 135292912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).