N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide

C18H25N3O2 — CID 51222112

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-18(2,3)21-17(23)12-20-16(22)10-6-7-13-11-19-15-9-5-4-8-14(13)15/h4-5,8-9,11,19H,6-7,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRZYLQUZTTMIYKB-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 51222112) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID51222112
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(C)(C)NC(=O)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H25N3O2/c1-18(2,3)21-17(23)12-20-16(22)10-6-7-13-11-19-15-9-5-4-8-14(13)15/h4-5,8-9,11,19H,6-7,10,12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyRZYLQUZTTMIYKB-UHFFFAOYSA-N
XLogP2.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
N-tert-butyl-2-[2-(1H-indol-3-yl)ethylamino]acetamide
CID 109002301
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866
N-(2,3-dimethylbutyl)-4-(1H-indol-3-yl)butanamide
CID 64597246
(2S)-2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1H-indol-3-yl)propanamide
CID 119956154
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-[(4-chlorophenyl)methyl]-4-(1H-indol-3-yl)butanamide
CID 2114507
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide (CID 51222112) is N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide is CC(C)(C)NC(=O)CNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is RZYLQUZTTMIYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18(2,3)21-17(23)12-20-16(22)10-6-7-13-11-19-15-9-5-4-8-14(13)15/h4-5,8-9,11,19H,6-7,10,12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide has a molecular weight of 315.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 51222112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).