4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid

C26H26N6O3 — CID 18929695

IUPAC4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
SMILESCCCCC(=O)Nc1ccc(C(=O)O)cc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O3/c1-2-3-8-24(33)28-22-14-13-19(26(34)35)15-23(22)27-16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-29-31-32-30-25/h4-7,9-15,27H,2-3,8,16H2,1H3,(H,28,33)(H,34,35)(H,29,30,31,32)
InChIKeyBYMPTJCHJNBGIC-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.97
Rot. Bonds10

About 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid

4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid (PubChem CID 18929695) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid.

Molecular Properties

Compound Name4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
PubChem CID18929695
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid
SMILESCCCCC(=O)Nc1ccc(C(=O)O)cc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O3/c1-2-3-8-24(33)28-22-14-13-19(26(34)35)15-23(22)27-16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-29-31-32-30-25/h4-7,9-15,27H,2-3,8,16H2,1H3,(H,28,33)(H,34,35)(H,29,30,31,32)
InChIKeyBYMPTJCHJNBGIC-UHFFFAOYSA-N
XLogP4.97
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid with MolForge

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Related Compounds

2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]quinoline-6-carboxylic acid
CID 54345927
1-butyl-5-methyl-2-[2-oxo-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]ethyl]imidazole-4-carboxylic acid
CID 142630033
(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoic acid
CID 10315945
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
1-butyl-3-phenyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68517977
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
CID 141085923
2,5,6-trimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyridine-3-carboxylic acid;hydrochloride
CID 67909695
1-butyl-3-(4-phenylphenyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68519469
(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
CID 87259889
5-[2-(4-decylphenyl)phenyl]-2H-tetrazole;[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methanol
CID 67613787

Frequently Asked Questions

What is the IUPAC name of 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid?
The IUPAC name of 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid (CID 18929695) is 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid.
What is the SMILES notation for 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid?
The canonical SMILES for 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid is CCCCC(=O)Nc1ccc(C(=O)O)cc1NCc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid?
The InChIKey is BYMPTJCHJNBGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-2-3-8-24(33)28-22-14-13-19(26(34)35)15-23(22)27-16-17-9-11-18(12-10-17)20-6-4-5-7-21(20)25-29-31-32-30-25/h4-7,9-15,27H,2-3,8,16H2,1H3,(H,28,33)(H,34,35)(H,29,30,31,32).
What are the key properties of 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid?
4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid has a molecular weight of 470.53 g/mol, XLogP of 4.97, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentanoylamino)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]benzoic acid is sourced from PubChem (CID 18929695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).