N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide

C16H23N5O — CID 99641717

IUPACN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide
SMILESCCC(=O)N[C@](C)(CC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C16H23N5O/c1-6-13(22)17-16(5,7-2)15-18-19-20-21(15)14-11(3)9-8-10-12(14)4/h8-10H,6-7H2,1-5H3,(H,17,22)/t16-/m1/s1
InChIKeyYMOAGDREVNLFKT-MRXNPFEDSA-N
MW301.39 g/mol
LogP2.43
Rot. Bonds5

About N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide

N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide (PubChem CID 99641717) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide
PubChem CID99641717
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide
SMILESCCC(=O)N[C@](C)(CC)c1nnnn1-c1c(C)cccc1C
InChIInChI=1S/C16H23N5O/c1-6-13(22)17-16(5,7-2)15-18-19-20-21(15)14-11(3)9-8-10-12(14)4/h8-10H,6-7H2,1-5H3,(H,17,22)/t16-/m1/s1
InChIKeyYMOAGDREVNLFKT-MRXNPFEDSA-N
XLogP2.43
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide?
The IUPAC name of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide (CID 99641717) is N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide is CCC(=O)N[C@](C)(CC)c1nnnn1-c1c(C)cccc1C.
What is the InChIKey of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide?
The InChIKey is YMOAGDREVNLFKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N5O/c1-6-13(22)17-16(5,7-2)15-18-19-20-21(15)14-11(3)9-8-10-12(14)4/h8-10H,6-7H2,1-5H3,(H,17,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide?
N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide has a molecular weight of 301.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]butan-2-yl]propanamide is sourced from PubChem (CID 99641717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).