N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide

C17H22N2O3 — CID 98783390

IUPACN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-19-9-11(14-4-2-3-5-15(14)19)7-17(22)18-13-6-12(10-20)16(21)8-13/h2-5,9,12-13,16,20-21H,6-8,10H2,1H3,(H,18,22)/t12-,13-,16-/m0/s1
InChIKeyDWANSIOHSGWLFP-XEZPLFJOSA-N
MW302.37 g/mol
LogP0.97
Rot. Bonds4

About N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide

N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide (PubChem CID 98783390) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
PubChem CID98783390
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide
SMILESCn1cc(CC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-19-9-11(14-4-2-3-5-15(14)19)7-17(22)18-13-6-12(10-20)16(21)8-13/h2-5,9,12-13,16,20-21H,6-8,10H2,1H3,(H,18,22)/t12-,13-,16-/m0/s1
InChIKeyDWANSIOHSGWLFP-XEZPLFJOSA-N
XLogP0.97
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(1-methylindol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 86859520
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 96544646
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784688
cis-(1R,3S)-3-[3-(1-methylindol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678962
2-(1-methylindol-3-yl)-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)acetamide
CID 86772729
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
formic acid;N-[1-(2-methoxyethyl)piperidin-4-yl]-2-(1-methylindol-3-yl)acetamide
CID 71784687
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
2-(1-methylindol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4523425
N-(2-ethylphenyl)-2-(1-methylindol-3-yl)acetamide
CID 4523543
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide (CID 98783390) is N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide is Cn1cc(CC(=O)N[C@H]2C[C@@H](CO)[C@@H](O)C2)c2ccccc21.
What is the InChIKey of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide?
The InChIKey is DWANSIOHSGWLFP-XEZPLFJOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19-9-11(14-4-2-3-5-15(14)19)7-17(22)18-13-6-12(10-20)16(21)8-13/h2-5,9,12-13,16,20-21H,6-8,10H2,1H3,(H,18,22)/t12-,13-,16-/m0/s1.
What are the key properties of N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide?
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 98783390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).