N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide

C22H26N2O — CID 42695889

IUPACN-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-3-13-22(25)24(17-18-9-5-4-6-10-18)15-14-19-16-23-21-12-8-7-11-20(19)21/h4-12,16,23H,2-3,13-15,17H2,1H3
InChIKeyOOKNBGDKACEIBZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.93
Rot. Bonds8

About N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide

N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide (PubChem CID 42695889) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
PubChem CID42695889
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC NameN-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
SMILESCCCCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1
InChIInChI=1S/C22H26N2O/c1-2-3-13-22(25)24(17-18-9-5-4-6-10-18)15-14-19-16-23-21-12-8-7-11-20(19)21/h4-12,16,23H,2-3,13-15,17H2,1H3
InChIKeyOOKNBGDKACEIBZ-UHFFFAOYSA-N
XLogP4.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-3-phenylpropanamide
CID 4114319
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylpentanamide
CID 3293601
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butylpropanamide
CID 5096553
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-cyclopropylheptanamide
CID 3434547
N-butyl-N-[2-[[4-(dimethylamino)phenyl]methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]butanamide
CID 42772355
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
2-[acetyl(propyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 4245533
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4998732
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]pentanamide
CID 5046355
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]dodecanamide
CID 42664117
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4621693
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 42770529

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide?
The IUPAC name of N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide (CID 42695889) is N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide.
What is the SMILES notation for N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide?
The canonical SMILES for N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide is CCCCC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide?
The InChIKey is OOKNBGDKACEIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-13-22(25)24(17-18-9-5-4-6-10-18)15-14-19-16-23-21-12-8-7-11-20(19)21/h4-12,16,23H,2-3,13-15,17H2,1H3.
What are the key properties of N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide?
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide has a molecular weight of 334.46 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 42695889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).