2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide

C19H27N5O — CID 143735278

IUPAC2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide
SMILESCCc1nc(CNC(=O)C(C)(C)N)[nH]c1CC1CNc2ccccc21
InChIInChI=1S/C19H27N5O/c1-4-14-16(9-12-10-21-15-8-6-5-7-13(12)15)24-17(23-14)11-22-18(25)19(2,3)20/h5-8,12,21H,4,9-11,20H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyAKGCANXGRUCVCP-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.08
Rot. Bonds6

About 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide

2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 143735278) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID143735278
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide
SMILESCCc1nc(CNC(=O)C(C)(C)N)[nH]c1CC1CNc2ccccc21
InChIInChI=1S/C19H27N5O/c1-4-14-16(9-12-10-21-15-8-6-5-7-13(12)15)24-17(23-14)11-22-18(25)19(2,3)20/h5-8,12,21H,4,9-11,20H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyAKGCANXGRUCVCP-UHFFFAOYSA-N
XLogP2.08
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide 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

5-(2,3-dihydro-1H-indol-3-ylmethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791409
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-2-methoxy-2-methylpropanamide
CID 103019631
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-(2,3-dihydro-1H-indol-3-yl)-2,2-dimethylpropanoic acid
CID 117199439
tert-butyl N-[2-[(3S)-2,3-dihydro-1H-indol-3-yl]ethyl]carbamate
CID 40546938
2-amino-N-tert-butyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 59768558
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
N-(2-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573388
3-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]-3-methylbutanamide
CID 106096636
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-hydroxy-2-methylbutan-2-yl)acetamide
CID 80573453
ethyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate
CID 70913003

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide (CID 143735278) is 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide is CCc1nc(CNC(=O)C(C)(C)N)[nH]c1CC1CNc2ccccc21.
What is the InChIKey of 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is AKGCANXGRUCVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-4-14-16(9-12-10-21-15-8-6-5-7-13(12)15)24-17(23-14)11-22-18(25)19(2,3)20/h5-8,12,21H,4,9-11,20H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide?
2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 341.46 g/mol, XLogP of 2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-1H-imidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 143735278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).