2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

C13H17N5O — CID 36723262

IUPAC2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)ccc1-n1cnnn1
InChIInChI=1S/C13H17N5O/c1-9-7-10(15-12(19)13(2,3)4)5-6-11(9)18-8-14-16-17-18/h5-8H,1-4H3,(H,15,19)
InChIKeyKXYAYEYYUCBZOK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds2

About 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide

2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 36723262) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
PubChem CID36723262
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)ccc1-n1cnnn1
InChIInChI=1S/C13H17N5O/c1-9-7-10(15-12(19)13(2,3)4)5-6-11(9)18-8-14-16-17-18/h5-8H,1-4H3,(H,15,19)
InChIKeyKXYAYEYYUCBZOK-UHFFFAOYSA-N
XLogP1.96
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
2-amino-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 43713144
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 75436162
N-[3-methyl-4-(tetrazol-1-yl)phenyl]but-2-enamide
CID 112725296
(E)-4-[3-methyl-4-(tetrazol-1-yl)anilino]-4-oxobut-2-enoic acid
CID 60940580
2,2,2-trifluoroethyl N-[3-methyl-4-(tetrazol-1-yl)phenyl]carbamate
CID 65173261
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
N-ethyl-3-methyl-4-(tetrazol-1-yl)aniline
CID 43732922
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 858850
2,4,5-trimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]furan-3-carboxamide
CID 36723061
N-[3-methyl-4-(tetrazol-1-yl)phenyl]formamide
CID 64992502

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide (CID 36723262) is 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is Cc1cc(NC(=O)C(C)(C)C)ccc1-n1cnnn1.
What is the InChIKey of 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is KXYAYEYYUCBZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-7-10(15-12(19)13(2,3)4)5-6-11(9)18-8-14-16-17-18/h5-8H,1-4H3,(H,15,19).
What are the key properties of 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide?
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 36723262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).