N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide

C25H25N5O — CID 126508826

IUPACN-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C25H25N5O/c1-2-3-13-24(31)30(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-26-28-29-27-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,26,27,28,29)
InChIKeyPDMQRBRKIKYEDR-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.26
Rot. Bonds8

About N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide

N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide (PubChem CID 126508826) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide
PubChem CID126508826
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide
SMILESCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1
InChIInChI=1S/C25H25N5O/c1-2-3-13-24(31)30(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-26-28-29-27-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,26,27,28,29)
InChIKeyPDMQRBRKIKYEDR-UHFFFAOYSA-N
XLogP5.26
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L 692429
CID 121879
5-butyl-2-phenyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 10275744
3-amino-3-methyl-N-[2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide
CID 10458974
3-benzyl-6-butyl-2-methyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-one
CID 10743676
5-butyl-2-(2-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956738
5-butyl-2-(3-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956741
5-butyl-2-(4-methylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956745
5-butyl-2-(4-ethylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956749
5-butyl-2-(4-fluorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956750
5-butyl-2-(2-phenylphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956753
2-(2-benzylphenyl)-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
CID 14956754
2-amino-2-methyl-N-[(3R)-2-oxo-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]propanamide
CID 18651337

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The IUPAC name of N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide (CID 126508826) is N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide.
What is the SMILES notation for N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The canonical SMILES for N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide is CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1ccccc1.
What is the InChIKey of N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide?
The InChIKey is PDMQRBRKIKYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-3-13-24(31)30(21-9-5-4-6-10-21)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)25-26-28-29-27-25/h4-12,14-17H,2-3,13,18H2,1H3,(H,26,27,28,29).
What are the key properties of N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide?
N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide has a molecular weight of 411.51 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 126508826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).