N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide

C18H22N2O2 — CID 111696845

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C=C[C@H](CO)C3)c[nH]c12
InChIInChI=1S/C18H22N2O2/c1-12-3-2-4-16-14(10-19-18(12)16)6-8-17(22)20-15-7-5-13(9-15)11-21/h2-5,7,10,13,15,19,21H,6,8-9,11H2,1H3,(H,20,22)/t13-,15+/m0/s1
InChIKeyLTFMGECJJSDPNB-DZGCQCFKSA-N
MW298.39 g/mol
LogP2.46
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide (PubChem CID 111696845) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
PubChem CID111696845
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C=C[C@H](CO)C3)c[nH]c12
InChIInChI=1S/C18H22N2O2/c1-12-3-2-4-16-14(10-19-18(12)16)6-8-17(22)20-15-7-5-13(9-15)11-21/h2-5,7,10,13,15,19,21H,6,8-9,11H2,1H3,(H,20,22)/t13-,15+/m0/s1
InChIKeyLTFMGECJJSDPNB-DZGCQCFKSA-N
XLogP2.46
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide 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-[3-(7-methyl-1H-indol-3-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 75498111
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
CID 111661254
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111487131
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(5-methylfuran-2-yl)propanamide
CID 111696857
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
N-[(2R,3R)-4-hydroxy-3-methylsulfanylbutan-2-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 97235958
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
CID 119233339
2-methyl-2-[4-[3-(7-methyl-1H-indol-3-yl)propanoylamino]phenyl]propanoic acid
CID 119254447
2-methyl-3-[3-(7-methyl-1H-indol-3-yl)propanoylamino]-2-phenylpropanoic acid
CID 120701179

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide (CID 111696845) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide is Cc1cccc2c(CCC(=O)N[C@@H]3C=C[C@H](CO)C3)c[nH]c12.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
The InChIKey is LTFMGECJJSDPNB-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-3-2-4-16-14(10-19-18(12)16)6-8-17(22)20-15-7-5-13(9-15)11-21/h2-5,7,10,13,15,19,21H,6,8-9,11H2,1H3,(H,20,22)/t13-,15+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 111696845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).