(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide

C23H32N4O5 — CID 10694604

IUPAC(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1
InChIInChI=1S/C23H32N4O5/c1-15(2)11-16(13-21(28)26-31)22(29)25-20(23(30)27-7-9-32-10-8-27)12-17-14-24-19-6-4-3-5-18(17)19/h3-6,14-16,20,24,31H,7-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1
InChIKeySBOCVCYAEHVMEA-UZLBHIALSA-N
MW444.53 g/mol
LogP1.61
Rot. Bonds9

About (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide

(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide (PubChem CID 10694604) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
PubChem CID10694604
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC Name(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
SMILESCC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1
InChIInChI=1S/C23H32N4O5/c1-15(2)11-16(13-21(28)26-31)22(29)25-20(23(30)27-7-9-32-10-8-27)12-17-14-24-19-6-4-3-5-18(17)19/h3-6,14-16,20,24,31H,7-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1
InChIKeySBOCVCYAEHVMEA-UZLBHIALSA-N
XLogP1.61
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854880
(2R)-N-[(2S)-1-(benzylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10624005
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
CID 59439618
CID 59439618
N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 3549726
(3R)-3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-methylhexanoic acid
CID 54003388
3-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]-5-methylhexanoic acid
CID 54003387
(2R)-2-[[2-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 67652101

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide (CID 10694604) is (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide is CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCOCC1.
What is the InChIKey of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide?
The InChIKey is SBOCVCYAEHVMEA-UZLBHIALSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-15(2)11-16(13-21(28)26-31)22(29)25-20(23(30)27-7-9-32-10-8-27)12-17-14-24-19-6-4-3-5-18(17)19/h3-6,14-16,20,24,31H,7-13H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide?
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide has a molecular weight of 444.53 g/mol, XLogP of 1.61, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 10694604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).