N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide

C20H29N3O2 — CID 167105628

IUPACN'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
SMILESCc1[nH]c2ccccc2c1CCCNC(=O)CCCCCCC(N)=O
InChIInChI=1S/C20H29N3O2/c1-15-16(17-9-6-7-11-18(17)23-15)10-8-14-22-20(25)13-5-3-2-4-12-19(21)24/h6-7,9,11,23H,2-5,8,10,12-14H2,1H3,(H2,21,24)(H,22,25)
InChIKeyLGEFTRSGQNEMHR-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.35
Rot. Bonds11

About N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide

N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide (PubChem CID 167105628) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide.

Molecular Properties

Compound NameN'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
PubChem CID167105628
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
SMILESCc1[nH]c2ccccc2c1CCCNC(=O)CCCCCCC(N)=O
InChIInChI=1S/C20H29N3O2/c1-15-16(17-9-6-7-11-18(17)23-15)10-8-14-22-20(25)13-5-3-2-4-12-19(21)24/h6-7,9,11,23H,2-5,8,10,12-14H2,1H3,(H2,21,24)(H,22,25)
InChIKeyLGEFTRSGQNEMHR-UHFFFAOYSA-N
XLogP3.35
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
CID 116846510
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide?
The IUPAC name of N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide (CID 167105628) is N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide.
What is the SMILES notation for N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide?
The canonical SMILES for N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide is Cc1[nH]c2ccccc2c1CCCNC(=O)CCCCCCC(N)=O.
What is the InChIKey of N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide?
The InChIKey is LGEFTRSGQNEMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-16(17-9-6-7-11-18(17)23-15)10-8-14-22-20(25)13-5-3-2-4-12-19(21)24/h6-7,9,11,23H,2-5,8,10,12-14H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide?
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide has a molecular weight of 343.47 g/mol, XLogP of 3.35, 11 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide is sourced from PubChem (CID 167105628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).