N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

C21H27N3O2 — CID 99929818

IUPACN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)Cc2coc3c(C)c(C)cc(C)c23)n1
InChIInChI=1S/C21H27N3O2/c1-12-7-13(2)20-18(11-26-21(20)17(12)6)9-19(25)22-10-16(5)24-15(4)8-14(3)23-24/h7-8,11,16H,9-10H2,1-6H3,(H,22,25)/t16-/m0/s1
InChIKeyGSSSOFOJGLNTEZ-INIZCTEOSA-N
MW353.47 g/mol
LogP4.09
Rot. Bonds5

About N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide

N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 99929818) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
PubChem CID99929818
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)n([C@@H](C)CNC(=O)Cc2coc3c(C)c(C)cc(C)c23)n1
InChIInChI=1S/C21H27N3O2/c1-12-7-13(2)20-18(11-26-21(20)17(12)6)9-19(25)22-10-16(5)24-15(4)8-14(3)23-24/h7-8,11,16H,9-10H2,1-6H3,(H,22,25)/t16-/m0/s1
InChIKeyGSSSOFOJGLNTEZ-INIZCTEOSA-N
XLogP4.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-[[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 95197275
N-(1,2-oxazol-5-ylmethyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 119072091
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 7444930
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 95120648
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-pyridin-4-ylpropanamide
CID 74234825
N'-(5-chloro-2-methylphenyl)-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanediamide
CID 95125643
N-[3-[2-[2-(3,5-dimethylpyrazol-1-yl)propylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421790
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 74237864
N-(2,5-dimethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 23861831
N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 97149577
N-(4-ethoxyphenyl)-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 23861838
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide
CID 119073958

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide (CID 99929818) is N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)n([C@@H](C)CNC(=O)Cc2coc3c(C)c(C)cc(C)c23)n1.
What is the InChIKey of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is GSSSOFOJGLNTEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-12-7-13(2)20-18(11-26-21(20)17(12)6)9-19(25)22-10-16(5)24-15(4)8-14(3)23-24/h7-8,11,16H,9-10H2,1-6H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide?
N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]-2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 99929818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).