N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide

C17H18N6O2 — CID 66539248

IUPACN-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C17H18N6O2/c1-12-2-6-14(7-3-12)19-16(24)11-25-15-8-4-13(5-9-15)10-18-17-20-22-23-21-17/h2-9H,10-11H2,1H3,(H,19,24)(H2,18,20,21,22,23)
InChIKeyYLTVQBXHNKBIML-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.14
Rot. Bonds7

About N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide (PubChem CID 66539248) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
PubChem CID66539248
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(CNc3nn[nH]n3)cc2)cc1
InChIInChI=1S/C17H18N6O2/c1-12-2-6-14(7-3-12)19-16(24)11-25-15-8-4-13(5-9-15)10-18-17-20-22-23-21-17/h2-9H,10-11H2,1H3,(H,19,24)(H2,18,20,21,22,23)
InChIKeyYLTVQBXHNKBIML-UHFFFAOYSA-N
XLogP2.14
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenoxy)-N-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 112982175
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113012140
2-(4-methylphenoxy)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 2992862
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2,2,2-trifluoro-N-[[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]acetamide
CID 108933812
2-[4-[(2,4-dichloroanilino)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 66539227
2-chloro-4-[[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66539319
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide (CID 66539248) is N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(CNc3nn[nH]n3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
The InChIKey is YLTVQBXHNKBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-2-6-14(7-3-12)19-16(24)11-25-15-8-4-13(5-9-15)10-18-17-20-22-23-21-17/h2-9H,10-11H2,1H3,(H,19,24)(H2,18,20,21,22,23).
What are the key properties of N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[(2H-tetrazol-5-ylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 66539248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).