(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide

C26H34N6O2 — CID 25306256

IUPAC(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H34N6O2/c1-6-22(25(34)27-26(3,4)5)31(17-16-20-10-8-7-9-11-20)23(33)18-32-29-24(28-30-32)21-14-12-19(2)13-15-21/h7-15,22H,6,16-18H2,1-5H3,(H,27,34)/t22-/m1/s1
InChIKeyKBIFGYAIDHARIM-JOCHJYFZSA-N
MW462.60 g/mol
LogP3.41
Rot. Bonds9

About (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide

(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide (PubChem CID 25306256) has the molecular formula C26H34N6O2 and a molecular weight of 462.60 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide
PubChem CID25306256
Molecular FormulaC26H34N6O2
Molecular Weight462.60 g/mol
Exact Mass462.27
IUPAC Name(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C26H34N6O2/c1-6-22(25(34)27-26(3,4)5)31(17-16-20-10-8-7-9-11-20)23(33)18-32-29-24(28-30-32)21-14-12-19(2)13-15-21/h7-15,22H,6,16-18H2,1-5H3,(H,27,34)/t22-/m1/s1
InChIKeyKBIFGYAIDHARIM-JOCHJYFZSA-N
XLogP3.41
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide with MolForge

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Related Compounds

(2R)-N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 40632038
N-tert-butyl-2-[[2-[5-(4-chlorophenyl)tetrazol-2-yl]acetyl]-[(4-methoxyphenyl)methyl]amino]butanamide
CID 3178673
2-[benzyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butylpentanamide
CID 3178740
(2R)-N-tert-butyl-2-[(2-chlorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]propanamide
CID 25309876
(2R)-N-tert-butyl-2-[[2-[5-(2-fluorophenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]-2-(5-methylfuran-2-yl)acetamide
CID 25306355
2-[benzyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-(5-methylfuran-2-yl)acetamide
CID 3179138
2-[benzyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-(4-hydroxyphenyl)acetamide
CID 3178960
N-tert-butyl-2-[(4-methylphenyl)methyl-(2-phenylacetyl)amino]butanamide
CID 132702936
(2R)-2-[benzyl-[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]amino]-N-tert-butyl-2-thiophen-2-ylacetamide
CID 40581267
(2R)-N-tert-butyl-2-[(4-fluorophenyl)methyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]-2-pyridin-4-ylacetamide
CID 40601398
N-tert-butyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]amino]acetamide
CID 3179083
N-tert-butyl-2-[[2-(2,6-dimethyl-N-methylsulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 132619648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide (CID 25306256) is (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide is CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide?
The InChIKey is KBIFGYAIDHARIM-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H34N6O2/c1-6-22(25(34)27-26(3,4)5)31(17-16-20-10-8-7-9-11-20)23(33)18-32-29-24(28-30-32)21-14-12-19(2)13-15-21/h7-15,22H,6,16-18H2,1-5H3,(H,27,34)/t22-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide?
(2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide has a molecular weight of 462.60 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 25306256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).