N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

C21H28N4O — CID 97150643

IUPACN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1nccn1C
InChIInChI=1S/C21H28N4O/c1-6-7-17(21-22-10-11-25(21)5)24-18(26)12-16-15(4)23-20-14(3)9-8-13(2)19(16)20/h8-11,17,23H,6-7,12H2,1-5H3,(H,24,26)/t17-/m0/s1
InChIKeyAZYQDKUPBISIQN-KRWDZBQOSA-N
MW352.48 g/mol
LogP4.03
Rot. Bonds6

About N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 97150643) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID97150643
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCCC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1nccn1C
InChIInChI=1S/C21H28N4O/c1-6-7-17(21-22-10-11-25(21)5)24-18(26)12-16-15(4)23-20-14(3)9-8-13(2)19(16)20/h8-11,17,23H,6-7,12H2,1-5H3,(H,24,26)/t17-/m0/s1
InChIKeyAZYQDKUPBISIQN-KRWDZBQOSA-N
XLogP4.03
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125437638
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 97136855
3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 135101819
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125437651
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125180059
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide (CID 97150643) is N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is CCC[C@H](NC(=O)Cc1c(C)[nH]c2c(C)ccc(C)c12)c1nccn1C.
What is the InChIKey of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is AZYQDKUPBISIQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O/c1-6-7-17(21-22-10-11-25(21)5)24-18(26)12-16-15(4)23-20-14(3)9-8-13(2)19(16)20/h8-11,17,23H,6-7,12H2,1-5H3,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide?
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 97150643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).