N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide

C25H32N6O — CID 68618020

IUPACN-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide
SMILESCCCCC(=O)NC1(CNCc2ccc(-c3ccccc3-n3cnnn3)cc2)CCCC1
InChIInChI=1S/C25H32N6O/c1-2-3-10-24(32)28-25(15-6-7-16-25)18-26-17-20-11-13-21(14-12-20)22-8-4-5-9-23(22)31-19-27-29-30-31/h4-5,8-9,11-14,19,26H,2-3,6-7,10,15-18H2,1H3,(H,28,32)
InChIKeyPACGOKZWIONRAZ-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.04
Rot. Bonds10

About N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide

N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide (PubChem CID 68618020) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide.

Molecular Properties

Compound NameN-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide
PubChem CID68618020
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC NameN-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide
SMILESCCCCC(=O)NC1(CNCc2ccc(-c3ccccc3-n3cnnn3)cc2)CCCC1
InChIInChI=1S/C25H32N6O/c1-2-3-10-24(32)28-25(15-6-7-16-25)18-26-17-20-11-13-21(14-12-20)22-8-4-5-9-23(22)31-19-27-29-30-31/h4-5,8-9,11-14,19,26H,2-3,6-7,10,15-18H2,1H3,(H,28,32)
InChIKeyPACGOKZWIONRAZ-UHFFFAOYSA-N
XLogP4.04
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide?
The IUPAC name of N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide (CID 68618020) is N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide.
What is the SMILES notation for N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide?
The canonical SMILES for N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide is CCCCC(=O)NC1(CNCc2ccc(-c3ccccc3-n3cnnn3)cc2)CCCC1.
What is the InChIKey of N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide?
The InChIKey is PACGOKZWIONRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-2-3-10-24(32)28-25(15-6-7-16-25)18-26-17-20-11-13-21(14-12-20)22-8-4-5-9-23(22)31-19-27-29-30-31/h4-5,8-9,11-14,19,26H,2-3,6-7,10,15-18H2,1H3,(H,28,32).
What are the key properties of N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide?
N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide has a molecular weight of 432.57 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[[4-[2-(tetrazol-1-yl)phenyl]phenyl]methylamino]methyl]cyclopentyl]pentanamide is sourced from PubChem (CID 68618020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).