(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide

C18H23N3O4 — CID 94824186

IUPAC(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C18H23N3O4/c1-12(22)20-16(18(23)21-25-17-8-4-5-9-24-17)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,16-17,19H,4-5,8-10H2,1H3,(H,20,22)(H,21,23)/t16-,17+/m1/s1
InChIKeyMVMVNRMWHJLXNR-SJORKVTESA-N
MW345.40 g/mol
LogP1.79
Rot. Bonds6

About (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide (PubChem CID 94824186) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide
PubChem CID94824186
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide
SMILESCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@H]1CCCCO1
InChIInChI=1S/C18H23N3O4/c1-12(22)20-16(18(23)21-25-17-8-4-5-9-24-17)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,16-17,19H,4-5,8-10H2,1H3,(H,20,22)(H,21,23)/t16-,17+/m1/s1
InChIKeyMVMVNRMWHJLXNR-SJORKVTESA-N
XLogP1.79
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-acetamido-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 40720853
ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
2-acetamido-N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 23276981
(2R)-2-acetamido-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(1H-indol-3-yl)propanamide
CID 41414808
(2R)-3-(1H-indol-3-yl)-2-[[(2S)-oxane-2-carbonyl]amino]propanoic acid
CID 124705255
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
tert-butyl N-[(2S)-1-(cyclopentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 10666931
2-acetamido-N-(3-anilinocyclobutyl)-3-(1H-indol-3-yl)propanamide
CID 166250312
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
tert-butyl 2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5,5-dimethylhexanoate
CID 175532878
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
(2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid;morpholine
CID 86738095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide?
The IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide (CID 94824186) is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide?
The canonical SMILES for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide is CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide?
The InChIKey is MVMVNRMWHJLXNR-SJORKVTESA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(22)20-16(18(23)21-25-17-8-4-5-9-24-17)10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11,16-17,19H,4-5,8-10H2,1H3,(H,20,22)(H,21,23)/t16-,17+/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide?
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide has a molecular weight of 345.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide is sourced from PubChem (CID 94824186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).