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

C22H27N3O2 — CID 119266811

IUPAC2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-3-6-20(23)22(26)25-13-18(15-9-11-16(27-2)12-10-15)19-14-24-21-8-5-4-7-17(19)21/h4-5,7-12,14,18,20,24H,3,6,13,23H2,1-2H3,(H,25,26)
InChIKeyFAFVGCNACPGTKF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.55
Rot. Bonds8

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

2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide (PubChem CID 119266811) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
PubChem CID119266811
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
SMILESCCCC(N)C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C22H27N3O2/c1-3-6-20(23)22(26)25-13-18(15-9-11-16(27-2)12-10-15)19-14-24-21-8-5-4-7-17(19)21/h4-5,7-12,14,18,20,24H,3,6,13,23H2,1-2H3,(H,25,26)
InChIKeyFAFVGCNACPGTKF-UHFFFAOYSA-N
XLogP3.55
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(dipropylamino)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 43061749
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
[2-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl] 2-ethoxyacetate
CID 9289695
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
N-[(2R)-2-(4-bromophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35124184
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
CID 43017319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The IUPAC name of 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide (CID 119266811) is 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide.
What is the SMILES notation for 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The canonical SMILES for 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide is CCCC(N)C(=O)NCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
The InChIKey is FAFVGCNACPGTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-6-20(23)22(26)25-13-18(15-9-11-16(27-2)12-10-15)19-14-24-21-8-5-4-7-17(19)21/h4-5,7-12,14,18,20,24H,3,6,13,23H2,1-2H3,(H,25,26).
What are the key properties of 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide?
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide has a molecular weight of 365.48 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide is sourced from PubChem (CID 119266811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).