3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide

C14H19N5O — CID 142768946

IUPAC3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide
SMILESCC(C)NC(=O)CC(Cn1cnnn1)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(2)16-14(20)8-13(9-19-10-15-17-18-19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20)
InChIKeyVTNZJPMKLBPEFO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds6

About 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide

3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide (PubChem CID 142768946) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound Name3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide
PubChem CID142768946
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide
SMILESCC(C)NC(=O)CC(Cn1cnnn1)c1ccccc1
InChIInChI=1S/C14H19N5O/c1-11(2)16-14(20)8-13(9-19-10-15-17-18-19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20)
InChIKeyVTNZJPMKLBPEFO-UHFFFAOYSA-N
XLogP1.37
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-phenyl-4-(tetrazol-1-yl)butanoate
CID 6926315
2-methyl-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 119218600
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
CID 71709425
(3S)-N-benzyl-3-(4-chlorophenyl)-N-methyl-4-(tetrazol-1-yl)butanamide
CID 97264597
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71704289
2-(tetrazol-1-yl)-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]acetamide
CID 95639107
N-[(1S)-1,2-diphenylethyl]-2-(tetrazol-1-yl)acetamide
CID 9117476
(2S)-2-(3-phenylpentanoylamino)propanoic acid
CID 119238309
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71709731
(3S)-3-phenyl-N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]pentanamide
CID 95628473

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide?
The IUPAC name of 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide (CID 142768946) is 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide is CC(C)NC(=O)CC(Cn1cnnn1)c1ccccc1.
What is the InChIKey of 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide?
The InChIKey is VTNZJPMKLBPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11(2)16-14(20)8-13(9-19-10-15-17-18-19)12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,16,20).
What are the key properties of 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide?
3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-propan-2-yl-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 142768946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).