N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide

C15H21N3O — CID 102911664

IUPACN-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-15(2,3)18-14(19)10-16-9-11-4-5-13-12(8-11)6-7-17-13/h4-8,16-17H,9-10H2,1-3H3,(H,18,19)
InChIKeyAIIMPABZTYBFGG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds4

About N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide

N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide (PubChem CID 102911664) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
PubChem CID102911664
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCc1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-15(2,3)18-14(19)10-16-9-11-4-5-13-12(8-11)6-7-17-13/h4-8,16-17H,9-10H2,1-3H3,(H,18,19)
InChIKeyAIIMPABZTYBFGG-UHFFFAOYSA-N
XLogP2.17
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
5-(1H-indol-5-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 106144224
1-(dimethylamino)-3-(1H-indol-5-ylmethylamino)-2-methylpropan-2-ol
CID 106145243
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835
N-tert-butyl-2-[(4-methylsulfanylphenyl)methylamino]acetamide
CID 47124680
4-[(1H-indol-5-ylmethylamino)methyl]benzaldehyde
CID 178072305
N-(1H-indol-5-ylmethyl)but-2-yn-1-amine
CID 102911910
tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
CID 107245270
N-tert-butyl-2-(1H-indol-5-yl)-2-oxoacetamide
CID 132598118
ethyl N-(1H-indol-5-ylmethyl)carbamate
CID 59248610
1-(1H-indol-5-yl)-2-methylpropan-2-ol
CID 117119070

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide (CID 102911664) is N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide is CC(C)(C)NC(=O)CNCc1ccc2[nH]ccc2c1.
What is the InChIKey of N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide?
The InChIKey is AIIMPABZTYBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)18-14(19)10-16-9-11-4-5-13-12(8-11)6-7-17-13/h4-8,16-17H,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide?
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide has a molecular weight of 259.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide is sourced from PubChem (CID 102911664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).