N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

C24H23N5O2 — CID 51587763

IUPACN-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H23N5O2/c1-17-26-27-28-29(17)21-13-11-18(12-14-21)15-23(30)25-24(19-7-4-3-5-8-19)20-9-6-10-22(16-20)31-2/h3-14,16,24H,15H2,1-2H3,(H,25,30)/t24-/m1/s1
InChIKeyKICYKQZGTSTBPA-XMMPIXPASA-N
MW413.48 g/mol
LogP3.43
Rot. Bonds7

About N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide

N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (PubChem CID 51587763) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
PubChem CID51587763
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
SMILESCOc1cccc([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1
InChIInChI=1S/C24H23N5O2/c1-17-26-27-28-29(17)21-13-11-18(12-14-21)15-23(30)25-24(19-7-4-3-5-8-19)20-9-6-10-22(16-20)31-2/h3-14,16,24H,15H2,1-2H3,(H,25,30)/t24-/m1/s1
InChIKeyKICYKQZGTSTBPA-XMMPIXPASA-N
XLogP3.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 131931060
N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 51591501
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
(2S)-N-benzhydryl-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 40941826
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 92604345
2-(4-fluorophenyl)-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 100750032
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 74241272

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide (CID 51587763) is N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is COc1cccc([C@H](NC(=O)Cc2ccc(-n3nnnc3C)cc2)c2ccccc2)c1.
What is the InChIKey of N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is KICYKQZGTSTBPA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23N5O2/c1-17-26-27-28-29(17)21-13-11-18(12-14-21)15-23(30)25-24(19-7-4-3-5-8-19)20-9-6-10-22(16-20)31-2/h3-14,16,24H,15H2,1-2H3,(H,25,30)/t24-/m1/s1.
What are the key properties of N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide?
N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 413.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 51587763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).