N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide

C22H29N3O2 — CID 113053059

IUPACN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)CCC1=CCCCC1
InChIInChI=1S/C22H29N3O2/c1-17(26)25(13-11-18-7-3-2-4-8-18)14-12-23-22(27)15-19-16-24-21-10-6-5-9-20(19)21/h5-7,9-10,16,24H,2-4,8,11-15H2,1H3,(H,23,27)
InChIKeyOTHVVORDGMFCAG-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.57
Rot. Bonds8

About N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113053059) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113053059
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)CCC1=CCCCC1
InChIInChI=1S/C22H29N3O2/c1-17(26)25(13-11-18-7-3-2-4-8-18)14-12-23-22(27)15-19-16-24-21-10-6-5-9-20(19)21/h5-7,9-10,16,24H,2-4,8,11-15H2,1H3,(H,23,27)
InChIKeyOTHVVORDGMFCAG-UHFFFAOYSA-N
XLogP3.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053081
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
2-(cyclohexen-1-yl)-N-(1H-indol-3-ylmethyl)ethanamine
CID 60664517
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209364
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
N-[2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]ethyl]-2-(4-methylphenoxy)acetamide
CID 113056143
[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960087
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
3-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116736
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
N-[3-[acetyl(propan-2-yl)amino]propyl]-2-(1H-indol-3-yl)acetamide
CID 47042094

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide (CID 113053059) is N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide is CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)CCC1=CCCCC1.
What is the InChIKey of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is OTHVVORDGMFCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17(26)25(13-11-18-7-3-2-4-8-18)14-12-23-22(27)15-19-16-24-21-10-6-5-9-20(19)21/h5-7,9-10,16,24H,2-4,8,11-15H2,1H3,(H,23,27).
What are the key properties of N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113053059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).