N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide

C25H26N6O — CID 42896099

IUPACN-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C25H26N6O/c1-19(22-12-9-13-23(16-22)26-20(2)32)30(17-21-10-5-3-6-11-21)18-25-27-28-29-31(25)24-14-7-4-8-15-24/h3-16,19H,17-18H2,1-2H3,(H,26,32)
InChIKeyWNTYHBUFMKFXSI-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.38
Rot. Bonds8

About N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide

N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide (PubChem CID 42896099) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide
PubChem CID42896099
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)N(Cc2ccccc2)Cc2nnnn2-c2ccccc2)c1
InChIInChI=1S/C25H26N6O/c1-19(22-12-9-13-23(16-22)26-20(2)32)30(17-21-10-5-3-6-11-21)18-25-27-28-29-31(25)24-14-7-4-8-15-24/h3-16,19H,17-18H2,1-2H3,(H,26,32)
InChIKeyWNTYHBUFMKFXSI-UHFFFAOYSA-N
XLogP4.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-phenyl-2-[(1-phenyltetrazol-5-yl)methyl-propylamino]propanamide
CID 52539253
2-[[(1S)-1-(3-acetamidophenyl)ethyl]-benzylamino]-N-prop-2-ynylacetamide
CID 51932586
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-methylbutanamide
CID 55505497
N-[3-[3-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 99191690
N-[3-[3-methyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 46575400
(E)-N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-3-phenylprop-2-enamide
CID 16583449
N-[1-(3-acetamidophenyl)ethyl]-N-benzyl-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16611716
N-[3-[3-cyclopropyl-5-[(1-phenyltetrazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 33375180
2-[(1-phenyltetrazol-5-yl)methylamino]propanoic acid
CID 43467064
4-methyl-3-[(1-phenyltetrazol-5-yl)methyl]pentan-2-one
CID 79417789
2-methylpropyl N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]carbamate
CID 47077786
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide (CID 42896099) is N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)N(Cc2ccccc2)Cc2nnnn2-c2ccccc2)c1.
What is the InChIKey of N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide?
The InChIKey is WNTYHBUFMKFXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-19(22-12-9-13-23(16-22)26-20(2)32)30(17-21-10-5-3-6-11-21)18-25-27-28-29-31(25)24-14-7-4-8-15-24/h3-16,19H,17-18H2,1-2H3,(H,26,32).
What are the key properties of N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide?
N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[benzyl-[(1-phenyltetrazol-5-yl)methyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 42896099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).