N-benzyl-4-(1-methylindol-3-yl)butanamide

C20H22N2O — CID 3684099

IUPACN-benzyl-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-22-15-17(18-11-5-6-12-19(18)22)10-7-13-20(23)21-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,21,23)
InChIKeyOMRCQADNPWHBAW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.82
Rot. Bonds6

About N-benzyl-4-(1-methylindol-3-yl)butanamide

N-benzyl-4-(1-methylindol-3-yl)butanamide (PubChem CID 3684099) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-benzyl-4-(1-methylindol-3-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(1-methylindol-3-yl)butanamide
PubChem CID3684099
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-benzyl-4-(1-methylindol-3-yl)butanamide
SMILESCn1cc(CCCC(=O)NCc2ccccc2)c2ccccc21
InChIInChI=1S/C20H22N2O/c1-22-15-17(18-11-5-6-12-19(18)22)10-7-13-20(23)21-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,21,23)
InChIKeyOMRCQADNPWHBAW-UHFFFAOYSA-N
XLogP3.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
(+)-Lysergic acid diethylamide
CID 5761
Lysergic acid amide
CID 442072
Indoramin
CID 33625
Apicidin
CID 6918328
Ilomastat
CID 132519
N,N-Diethyltryptamine
CID 6090
Linopirdine
CID 3932
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Macimorelin
CID 9804938
Ethanone, 1-(1H-indol-1-yl)-
CID 68470

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(1-methylindol-3-yl)butanamide?
The IUPAC name of N-benzyl-4-(1-methylindol-3-yl)butanamide (CID 3684099) is N-benzyl-4-(1-methylindol-3-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(1-methylindol-3-yl)butanamide?
The canonical SMILES for N-benzyl-4-(1-methylindol-3-yl)butanamide is Cn1cc(CCCC(=O)NCc2ccccc2)c2ccccc21.
What is the InChIKey of N-benzyl-4-(1-methylindol-3-yl)butanamide?
The InChIKey is OMRCQADNPWHBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22-15-17(18-11-5-6-12-19(18)22)10-7-13-20(23)21-14-16-8-3-2-4-9-16/h2-6,8-9,11-12,15H,7,10,13-14H2,1H3,(H,21,23).
What are the key properties of N-benzyl-4-(1-methylindol-3-yl)butanamide?
N-benzyl-4-(1-methylindol-3-yl)butanamide has a molecular weight of 306.41 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(1-methylindol-3-yl)butanamide is sourced from PubChem (CID 3684099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).