(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide

C19H27N3O4 — CID 10292070

IUPAC(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide
SMILESCC[C@H](C)C(CC(=O)NO)NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H27N3O4/c1-5-11(2)17(10-19(24)22-25)21-18(23)9-14-12(3)20-16-7-6-13(26-4)8-15(14)16/h6-8,11,17,20,25H,5,9-10H2,1-4H3,(H,21,23)(H,22,24)/t11-,17?/m0/s1
InChIKeyPRXHZFDEVXHOPU-PIJUOJQZSA-N
MW361.44 g/mol
LogP2.45
Rot. Bonds8

About (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide

(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide (PubChem CID 10292070) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide.

Molecular Properties

Compound Name(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide
PubChem CID10292070
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide
SMILESCC[C@H](C)C(CC(=O)NO)NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C19H27N3O4/c1-5-11(2)17(10-19(24)22-25)21-18(23)9-14-12(3)20-16-7-6-13(26-4)8-15(14)16/h6-8,11,17,20,25H,5,9-10H2,1-4H3,(H,21,23)(H,22,24)/t11-,17?/m0/s1
InChIKeyPRXHZFDEVXHOPU-PIJUOJQZSA-N
XLogP2.45
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 113212201
N-(2,5-dimethoxyphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212208
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
(3S)-4-[4-[bis[4-[[(2S)-3-carboxy-2-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]propanoyl]amino]phenyl]methyl]anilino]-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-oxobutanoic acid
CID 20779523
N-(2,4-dimethylphenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212169
N-(3,4-dichlorophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212248
1-(4-acetylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212099
1-(4-ethylpiperazin-1-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)ethanone
CID 113212097
methyl 3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]benzoate
CID 113212219
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
N-(1,3-benzodioxol-5-yl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212238
N-(3-cyanophenyl)-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212259

Frequently Asked Questions

What is the IUPAC name of (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide?
The IUPAC name of (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide (CID 10292070) is (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide.
What is the SMILES notation for (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide?
The canonical SMILES for (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide is CC[C@H](C)C(CC(=O)NO)NC(=O)Cc1c(C)[nH]c2ccc(OC)cc12.
What is the InChIKey of (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide?
The InChIKey is PRXHZFDEVXHOPU-PIJUOJQZSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-5-11(2)17(10-19(24)22-25)21-18(23)9-14-12(3)20-16-7-6-13(26-4)8-15(14)16/h6-8,11,17,20,25H,5,9-10H2,1-4H3,(H,21,23)(H,22,24)/t11-,17?/m0/s1.
What are the key properties of (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide?
(4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide has a molecular weight of 361.44 g/mol, XLogP of 2.45, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-hydroxy-3-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-4-methylhexanamide is sourced from PubChem (CID 10292070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).