N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide

C24H29N3O2 — CID 51504824

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)Cn1cc(CN2CCCC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-18(20-9-4-6-12-23(20)29-2)25-24(28)17-27-16-19(15-26-13-7-8-14-26)21-10-3-5-11-22(21)27/h3-6,9-12,16,18H,7-8,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyJFDKNRBPUBSPQK-GOSISDBHSA-N
MW391.52 g/mol
LogP4.12
Rot. Bonds7

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide (PubChem CID 51504824) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
PubChem CID51504824
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)Cn1cc(CN2CCCC2)c2ccccc21
InChIInChI=1S/C24H29N3O2/c1-18(20-9-4-6-12-23(20)29-2)25-24(28)17-27-16-19(15-26-13-7-8-14-26)21-10-3-5-11-22(21)27/h3-6,9-12,16,18H,7-8,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1
InChIKeyJFDKNRBPUBSPQK-GOSISDBHSA-N
XLogP4.12
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
CID 46967123
N-propan-2-yl-2-[3-[[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51872410
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
N-[1-(2-methoxyphenyl)ethyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55477021
N-[1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 71932804
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 97089117
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 110891543
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596439
N-[1-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylpropanamide
CID 133184843
(2R)-1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914296

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide (CID 51504824) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide is COc1ccccc1[C@@H](C)NC(=O)Cn1cc(CN2CCCC2)c2ccccc21.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide?
The InChIKey is JFDKNRBPUBSPQK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(20-9-4-6-12-23(20)29-2)25-24(28)17-27-16-19(15-26-13-7-8-14-26)21-10-3-5-11-22(21)27/h3-6,9-12,16,18H,7-8,13-15,17H2,1-2H3,(H,25,28)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetamide is sourced from PubChem (CID 51504824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).