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

C21H24N4O2 — CID 110286300

IUPAC(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14(2)23-20(26)19(25-21(27)24-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,26)(H2,24,25,27)/t19-/m0/s1
InChIKeyLHBATNAJCAOXSS-IBGZPJMESA-N
MW364.45 g/mol
LogP3.43
Rot. Bonds6

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

(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide (PubChem CID 110286300) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
PubChem CID110286300
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N4O2/c1-14(2)23-20(26)19(25-21(27)24-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,26)(H2,24,25,27)/t19-/m0/s1
InChIKeyLHBATNAJCAOXSS-IBGZPJMESA-N
XLogP3.43
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
ethyl 3-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]propanoyl]amino]propanoate
CID 131719109
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-propan-2-ylpropanamide
CID 110286296
(2R)-N-[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanamide
CID 100954446
3-[[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]propane-1-sulfonic acid
CID 59771475
N-(cyanomethyl)-3-(1H-indol-3-yl)-2-[(4-phenoxyphenyl)carbamoylamino]propanamide
CID 10072609
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)propanamide
CID 19003159
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2S)-2-(dimethylsulfamoylamino)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 110286320

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide (CID 110286300) is (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide is CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccccc1.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide?
The InChIKey is LHBATNAJCAOXSS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)23-20(26)19(25-21(27)24-16-8-4-3-5-9-16)12-15-13-22-18-11-7-6-10-17(15)18/h3-11,13-14,19,22H,12H2,1-2H3,(H,23,26)(H2,24,25,27)/t19-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide?
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide has a molecular weight of 364.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide is sourced from PubChem (CID 110286300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).