N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C16H23ClN6O — CID 23724008

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN6O/c1-12(2)21(3)10-15-18-19-20-23(15)11-16(24)22(4)9-13-6-5-7-14(17)8-13/h5-8,12H,9-11H2,1-4H3
InChIKeyPESXSTASGYSYLF-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.83
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 23724008) has the molecular formula C16H23ClN6O and a molecular weight of 350.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID23724008
Molecular FormulaC16H23ClN6O
Molecular Weight350.85 g/mol
Exact Mass350.16
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN6O/c1-12(2)21(3)10-15-18-19-20-23(15)11-16(24)22(4)9-13-6-5-7-14(17)8-13/h5-8,12H,9-11H2,1-4H3
InChIKeyPESXSTASGYSYLF-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 23724008) is N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CC(C)N(C)Cc1nnnn1CC(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is PESXSTASGYSYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN6O/c1-12(2)21(3)10-15-18-19-20-23(15)11-16(24)22(4)9-13-6-5-7-14(17)8-13/h5-8,12H,9-11H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 350.85 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 23724008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).