2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide

C14H20N6O — CID 115431915

IUPAC2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H20N6O/c1-3-14(4-2,9-15)13(21)16-11-7-5-6-10(8-11)12-17-19-20-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyOHEUTRIDZSDOSL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.57
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide

2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 115431915) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID115431915
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C14H20N6O/c1-3-14(4-2,9-15)13(21)16-11-7-5-6-10(8-11)12-17-19-20-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyOHEUTRIDZSDOSL-UHFFFAOYSA-N
XLogP1.57
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
N-[3-(2H-tetrazol-5-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 9404095
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
CID 115431812
N-[3-(2H-tetrazol-5-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (CID 115431915) is 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is CCC(CC)(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is OHEUTRIDZSDOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-3-14(4-2,9-15)13(21)16-11-7-5-6-10(8-11)12-17-19-20-18-12/h5-8H,3-4,9,15H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 288.35 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 115431915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).