acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide

C24H35N3O5 — CID 154917785

IUPACacetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide
SMILESCC(=O)O.C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CC2(CCNCC2)OC[C@@H]1O
InChIInChI=1S/C22H31N3O3.C2H4O2/c1-21(15-22(28-14-19(21)26)9-11-23-12-10-22)25-20(27)8-4-5-16-13-24-18-7-3-2-6-17(16)18;1-2(3)4/h2-3,6-7,13,19,23-24,26H,4-5,8-12,14-15H2,1H3,(H,25,27);1H3,(H,3,4)/t19-,21-;/m0./s1
InChIKeyPDEPXVCLIBRWLG-RQBPZYBGSA-N
MW445.56 g/mol
LogP2.36
Rot. Bonds5

About acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide

acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide (PubChem CID 154917785) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound Nameacetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide
PubChem CID154917785
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Nameacetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide
SMILESCC(=O)O.C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CC2(CCNCC2)OC[C@@H]1O
InChIInChI=1S/C22H31N3O3.C2H4O2/c1-21(15-22(28-14-19(21)26)9-11-23-12-10-22)25-20(27)8-4-5-16-13-24-18-7-3-2-6-17(16)18;1-2(3)4/h2-3,6-7,13,19,23-24,26H,4-5,8-12,14-15H2,1H3,(H,25,27);1H3,(H,3,4)/t19-,21-;/m0./s1
InChIKeyPDEPXVCLIBRWLG-RQBPZYBGSA-N
XLogP2.36
TPSA123.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1H-indol-3-yl)-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)propanamide;hydrochloride
CID 154901497
2-[3-(1H-indol-3-yl)propanoylamino]-2-methylcyclohexane-1-carboxylic acid
CID 120546197
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 16582538
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
3-(1H-indol-3-yl)-N-(1-oxaspiro[4.5]decan-3-yl)propanamide
CID 91833615
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51492412
4-(1H-indol-3-yl)-N-piperidin-3-ylbutanamide
CID 63321297

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide (CID 154917785) is acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide is CC(=O)O.C[C@]1(NC(=O)CCCc2c[nH]c3ccccc23)CC2(CCNCC2)OC[C@@H]1O.
What is the InChIKey of acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is PDEPXVCLIBRWLG-RQBPZYBGSA-N. The full InChI is InChI=1S/C22H31N3O3.C2H4O2/c1-21(15-22(28-14-19(21)26)9-11-23-12-10-22)25-20(27)8-4-5-16-13-24-18-7-3-2-6-17(16)18;1-2(3)4/h2-3,6-7,13,19,23-24,26H,4-5,8-12,14-15H2,1H3,(H,25,27);1H3,(H,3,4)/t19-,21-;/m0./s1.
What are the key properties of acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide?
acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 445.56 g/mol, XLogP of 2.36, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 154917785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).