N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C22H28N6O — CID 25366317

IUPACN-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N6O/c1-17(2)27(3)15-21-24-25-26-28(21)16-22(29)23-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3,(H,23,29)/t20-/m0/s1
InChIKeyQCMMDTGHSYLFOI-FQEVSTJZSA-N
MW392.51 g/mol
LogP2.61
Rot. Bonds9

About N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 25366317) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID25366317
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H28N6O/c1-17(2)27(3)15-21-24-25-26-28(21)16-22(29)23-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3,(H,23,29)/t20-/m0/s1
InChIKeyQCMMDTGHSYLFOI-FQEVSTJZSA-N
XLogP2.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide with MolForge

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Related Compounds

N-benzhydryl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 42244551
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-(2-phenylcyclopropyl)acetamide
CID 156606204
N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
CID 23724008
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
N-(1,2-diphenylethyl)-2-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylacetamide
CID 24572533
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide
CID 97222196
N-(1,2-diphenylethyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110880802
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1,2-diphenylethylurea
CID 2853470
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098953

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 25366317) is N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is QCMMDTGHSYLFOI-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H28N6O/c1-17(2)27(3)15-21-24-25-26-28(21)16-22(29)23-20(19-12-8-5-9-13-19)14-18-10-6-4-7-11-18/h4-13,17,20H,14-16H2,1-3H3,(H,23,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 392.51 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 25366317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).