N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

C21H24N4O2 — CID 51591501

IUPACN-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cccc([C@@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-15(2)19-13-25(24-23-19)14-20(26)22-21(16-8-5-4-6-9-16)17-10-7-11-18(12-17)27-3/h4-13,15,21H,14H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyYESFIXGXGXKOKF-NRFANRHFSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds7

About N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide

N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (PubChem CID 51591501) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
PubChem CID51591501
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
SMILESCOc1cccc([C@@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccccc2)c1
InChIInChI=1S/C21H24N4O2/c1-15(2)19-13-25(24-23-19)14-20(26)22-21(16-8-5-4-6-9-16)17-10-7-11-18(12-17)27-3/h4-13,15,21H,14H2,1-3H3,(H,22,26)/t21-/m0/s1
InChIKeyYESFIXGXGXKOKF-NRFANRHFSA-N
XLogP3.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(R)-(3-methoxyphenyl)-phenylmethyl]-2-[4-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 51587763
2-[4-(1-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 114419801
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
1-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]ethyl]triazole-4-carboxylic acid
CID 103258044
2-[4-(3,4-dimethoxyphenyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 167845747
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
N-benzhydryl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 55546559
3-(3-methoxyphenyl)-3-(propanoylamino)propanoic acid
CID 112508887
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 80742697
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(R)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8588061
N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 92604345

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The IUPAC name of N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide (CID 51591501) is N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is COc1cccc([C@@H](NC(=O)Cn2cc(C(C)C)nn2)c2ccccc2)c1.
What is the InChIKey of N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
The InChIKey is YESFIXGXGXKOKF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15(2)19-13-25(24-23-19)14-20(26)22-21(16-8-5-4-6-9-16)17-10-7-11-18(12-17)27-3/h4-13,15,21H,14H2,1-3H3,(H,22,26)/t21-/m0/s1.
What are the key properties of N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide?
N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3-methoxyphenyl)-phenylmethyl]-2-(4-propan-2-yltriazol-1-yl)acetamide is sourced from PubChem (CID 51591501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).