N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide

C21H24N2O2 — CID 31818454

IUPACN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-3-6-21(24)23-13-18(15-9-11-16(25-2)12-10-15)19-14-22-20-8-5-4-7-17(19)20/h4-5,7-12,14,18,22H,3,6,13H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyVHWHLSYCHMCMIL-SFHVURJKSA-N
MW336.44 g/mol
LogP4.22
Rot. Bonds7

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

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide (PubChem CID 31818454) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
PubChem CID31818454
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
SMILESCCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H24N2O2/c1-3-6-21(24)23-13-18(15-9-11-16(25-2)12-10-15)19-14-22-20-8-5-4-7-17(19)20/h4-5,7-12,14,18,22H,3,6,13H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKeyVHWHLSYCHMCMIL-SFHVURJKSA-N
XLogP4.22
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542
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
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
2-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014560
[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-phenylethyl]pentanamide
CID 24599762
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-(4-chlorophenoxy)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 17014563
(2R)-N-ethyl-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 8645044

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide?
The IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide (CID 31818454) is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide is CCCC(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide?
The InChIKey is VHWHLSYCHMCMIL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-6-21(24)23-13-18(15-9-11-16(25-2)12-10-15)19-14-22-20-8-5-4-7-17(19)20/h4-5,7-12,14,18,22H,3,6,13H2,1-2H3,(H,23,24)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide?
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 31818454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).