4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide

C17H23N5O — CID 166253146

IUPAC4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(C2CC2)cc1)c1nn[nH]n1
InChIInChI=1S/C17H23N5O/c1-2-15(17-19-21-22-20-17)18-16(23)5-3-4-12-6-8-13(9-7-12)14-10-11-14/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyVXFUWBDAKZBGOU-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.67
Rot. Bonds8

About 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide

4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide (PubChem CID 166253146) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide.

Molecular Properties

Compound Name4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
PubChem CID166253146
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide
SMILESCCC(NC(=O)CCCc1ccc(C2CC2)cc1)c1nn[nH]n1
InChIInChI=1S/C17H23N5O/c1-2-15(17-19-21-22-20-17)18-16(23)5-3-4-12-6-8-13(9-7-12)14-10-11-14/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,23)(H,19,20,21,22)
InChIKeyVXFUWBDAKZBGOU-UHFFFAOYSA-N
XLogP2.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-cyclopropylphenyl)butanoylamino]-N-methylbutanamide
CID 166252359
methyl 2-[4-(4-cyclopropylphenyl)butanoylamino]propanoate
CID 166283041
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
1,7-bis[4-(4-propylcyclohexyl)phenyl]heptan-4-one
CID 70444896
4-(4-fluorophenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
CID 118778152
4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-[1-(2H-tetrazol-5-yl)butan-2-yl]butanamide
CID 166380294
3-(2-aminophenyl)-N-[1-(2H-tetrazol-5-yl)butyl]propanamide;hydrochloride
CID 120611610
4-(4-cyclohexylphenyl)butanoic acid
CID 3041568
4-(4-methoxyphenyl)-N-[1-(6-methyl-2-pyridinyl)propyl]butanamide
CID 91792461
5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
N-hydroxy-6-[4-(1-methylpiperidin-4-yl)phenyl]hexanamide
CID 142170348

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide?
The IUPAC name of 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide (CID 166253146) is 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide.
What is the SMILES notation for 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide?
The canonical SMILES for 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide is CCC(NC(=O)CCCc1ccc(C2CC2)cc1)c1nn[nH]n1.
What is the InChIKey of 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide?
The InChIKey is VXFUWBDAKZBGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-2-15(17-19-21-22-20-17)18-16(23)5-3-4-12-6-8-13(9-7-12)14-10-11-14/h6-9,14-15H,2-5,10-11H2,1H3,(H,18,23)(H,19,20,21,22).
What are the key properties of 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide?
4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide has a molecular weight of 313.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenyl)-N-[1-(2H-tetrazol-5-yl)propyl]butanamide is sourced from PubChem (CID 166253146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).