4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide

C20H28N2O2 — CID 97335463

IUPAC4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
SMILESCO[C@@H]1[C@@H](C)[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-13-18(20(2,3)19(13)24-4)22-17(23)11-7-8-14-12-21-16-10-6-5-9-15(14)16/h5-6,9-10,12-13,18-19,21H,7-8,11H2,1-4H3,(H,22,23)/t13-,18-,19+/m0/s1
InChIKeySDZMFZOGXYIVLM-FASAQXTFSA-N
MW328.46 g/mol
LogP3.67
Rot. Bonds6

About 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide

4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide (PubChem CID 97335463) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
PubChem CID97335463
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
SMILESCO[C@@H]1[C@@H](C)[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-13-18(20(2,3)19(13)24-4)22-17(23)11-7-8-14-12-21-16-10-6-5-9-15(14)16/h5-6,9-10,12-13,18-19,21H,7-8,11H2,1-4H3,(H,22,23)/t13-,18-,19+/m0/s1
InChIKeySDZMFZOGXYIVLM-FASAQXTFSA-N
XLogP3.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide with MolForge

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Related Compounds

4-(1H-indol-3-yl)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)butanamide
CID 75444662
4-(1H-indol-3-yl)-N-[(1R,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide
CID 97335465
4-(1H-indol-3-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 17487739
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
cis-(1R,3S)-3-[4-(1H-indol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120679084
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-[(3R)-pyrrolidin-3-yl]butanamide
CID 79688237
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide (CID 97335463) is 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide is CO[C@@H]1[C@@H](C)[C@H](NC(=O)CCCc2c[nH]c3ccccc23)C1(C)C.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide?
The InChIKey is SDZMFZOGXYIVLM-FASAQXTFSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-13-18(20(2,3)19(13)24-4)22-17(23)11-7-8-14-12-21-16-10-6-5-9-15(14)16/h5-6,9-10,12-13,18-19,21H,7-8,11H2,1-4H3,(H,22,23)/t13-,18-,19+/m0/s1.
What are the key properties of 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide?
4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide has a molecular weight of 328.46 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutyl]butanamide is sourced from PubChem (CID 97335463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).