2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

C25H28N8O2 — CID 59041306

IUPAC2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnnn1[C@H](CC#N)COc1ccccc1
InChIInChI=1S/C25H28N8O2/c1-25(2,27)24(34)29-22(14-17-15-28-21-11-7-6-10-20(17)21)23-30-31-32-33(23)18(12-13-26)16-35-19-8-4-3-5-9-19/h3-11,15,18,22,28H,12,14,16,27H2,1-2H3,(H,29,34)/t18-,22-/m1/s1
InChIKeyKKLWKPCCZABEGX-XMSQKQJNSA-N
MW472.55 g/mol
LogP2.83
Rot. Bonds10

About 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 59041306) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID59041306
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnnn1[C@H](CC#N)COc1ccccc1
InChIInChI=1S/C25H28N8O2/c1-25(2,27)24(34)29-22(14-17-15-28-21-11-7-6-10-20(17)21)23-30-31-32-33(23)18(12-13-26)16-35-19-8-4-3-5-9-19/h3-11,15,18,22,28H,12,14,16,27H2,1-2H3,(H,29,34)/t18-,22-/m1/s1
InChIKeyKKLWKPCCZABEGX-XMSQKQJNSA-N
XLogP2.83
TPSA147.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-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

2-amino-N-[(1R)-2-(1,3-benzoxazol-2-yl)-1-[1-(1-isocyano-3-phenoxypropan-2-yl)tetrazol-5-yl]ethyl]-2-methylpropanamide
CID 59041288
2-amino-N-[1-[5-benzyl-4-(2,2-diphenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 68722910
2-amino-N-[2-(1H-indol-3-yl)-1-[4-[[3-[2-(1H-indol-3-yl)ethyl]-4-methoxyphenyl]methyl]-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 135350341
2-amino-N-[1-[5-tert-butylsulfanyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 23563217
tert-butyl N-[1-(4-cyanophenyl)-2-(1H-indol-3-yl)ethyl]carbamate
CID 146168165
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[(1R)-2-(1H-indol-3-yl)-1-[(2-phenylacetyl)amino]ethyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 11103730
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[[(2S)-1-(1H-indol-3-yl)-4,4-dimethylpentan-2-yl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 126566186
N-[(2R)-2-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)propanoyl]-2-amino-2-methylpropanamide
CID 24848874
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
CID 21221997
2-cyano-N-[2-[[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 162663004
(2R)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxyamino]propanoic acid
CID 129192457
2-amino-N-[1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 21222126

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 59041306) is 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnnn1[C@H](CC#N)COc1ccccc1.
What is the InChIKey of 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is KKLWKPCCZABEGX-XMSQKQJNSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(2,27)24(34)29-22(14-17-15-28-21-11-7-6-10-20(17)21)23-30-31-32-33(23)18(12-13-26)16-35-19-8-4-3-5-9-19/h3-11,15,18,22,28H,12,14,16,27H2,1-2H3,(H,29,34)/t18-,22-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 472.55 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-[1-[(2R)-1-cyano-3-phenoxypropan-2-yl]tetrazol-5-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 59041306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).