2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

C27H35N3O2 — CID 16577880

IUPAC2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CN(C)C2CCCCCC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H35N3O2/c1-30(21-9-5-3-4-6-10-21)19-27(31)29-17-24(20-13-15-22(32-2)16-14-20)25-18-28-26-12-8-7-11-23(25)26/h7-8,11-16,18,21,24,28H,3-6,9-10,17,19H2,1-2H3,(H,29,31)
InChIKeyUWLLQWYGWRLFKP-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.08
Rot. Bonds8

About 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide

2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 16577880) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID16577880
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)CN(C)C2CCCCCC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C27H35N3O2/c1-30(21-9-5-3-4-6-10-21)19-27(31)29-17-24(20-13-15-22(32-2)16-14-20)25-18-28-26-12-8-7-11-23(25)26/h7-8,11-16,18,21,24,28H,3-6,9-10,17,19H2,1-2H3,(H,29,31)
InChIKeyUWLLQWYGWRLFKP-UHFFFAOYSA-N
XLogP5.08
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclohexyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645004
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 55343696
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 8558536
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
[2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] (2R)-oxolane-2-carboxylate
CID 8808245

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide (CID 16577880) is 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)CN(C)C2CCCCCC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is UWLLQWYGWRLFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-30(21-9-5-3-4-6-10-21)19-27(31)29-17-24(20-13-15-22(32-2)16-14-20)25-18-28-26-12-8-7-11-23(25)26/h7-8,11-16,18,21,24,28H,3-6,9-10,17,19H2,1-2H3,(H,29,31).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide?
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 433.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 16577880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).