4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide

C22H24N2O — CID 16582538

IUPAC4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-21(24-16-22(13-14-22)18-8-2-1-3-9-18)12-6-7-17-15-23-20-11-5-4-10-19(17)20/h1-5,8-11,15,23H,6-7,12-14,16H2,(H,24,25)
InChIKeySYFPYBBTAQAFEV-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.34
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide

4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide (PubChem CID 16582538) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
PubChem CID16582538
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1
InChIInChI=1S/C22H24N2O/c25-21(24-16-22(13-14-22)18-8-2-1-3-9-18)12-6-7-17-15-23-20-11-5-4-10-19(17)20/h1-5,8-11,15,23H,6-7,12-14,16H2,(H,24,25)
InChIKeySYFPYBBTAQAFEV-UHFFFAOYSA-N
XLogP4.34
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
3-(1H-indol-3-yl)-N-[(1-propylcyclopropyl)methyl]propanamide
CID 103762183
N-cyclopropyl-4-(1H-indol-3-yl)butanamide
CID 729220
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
N-[(2S)-2-hydroxy-3-phenylpropyl]-4-(1H-indol-3-yl)butanamide
CID 95302760
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 113214463
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide (CID 16582538) is 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide is O=C(CCCc1c[nH]c2ccccc12)NCC1(c2ccccc2)CC1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
The InChIKey is SYFPYBBTAQAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c25-21(24-16-22(13-14-22)18-8-2-1-3-9-18)12-6-7-17-15-23-20-11-5-4-10-19(17)20/h1-5,8-11,15,23H,6-7,12-14,16H2,(H,24,25).
What are the key properties of 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide?
4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide has a molecular weight of 332.45 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(1-phenylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 16582538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).