4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide

C18H25N5O4 — CID 163303095

IUPAC4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1nnc2c(OC)cccc21
InChIInChI=1S/C18H25N5O4/c1-10(2)16(18(26)22-9-11(24)8-13(22)17(25)19-3)23-12-6-5-7-14(27-4)15(12)20-21-23/h5-7,10-11,13,16,24H,8-9H2,1-4H3,(H,19,25)
InChIKeyLVCPBAHKWBSXAE-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.34
Rot. Bonds5

About 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide

4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163303095) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163303095
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1nnc2c(OC)cccc21
InChIInChI=1S/C18H25N5O4/c1-10(2)16(18(26)22-9-11(24)8-13(22)17(25)19-3)23-12-6-5-7-14(27-4)15(12)20-21-23/h5-7,10-11,13,16,24H,8-9H2,1-4H3,(H,19,25)
InChIKeyLVCPBAHKWBSXAE-UHFFFAOYSA-N
XLogP0.34
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302844
1-[2-(4-cyclopentyltriazol-1-yl)-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 163302859
(2S,4R)-4-hydroxy-N-methyl-1-[3-methyl-2-[4-(triazol-2-yl)triazol-1-yl]butanoyl]pyrrolidine-2-carboxamide
CID 169006132
(2R)-4-hydroxy-1-[2-[4-[(2-methoxyphenyl)sulfanylmethyl]triazol-1-yl]-3,3-dimethylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 175465878
(2S,4R)-4-hydroxy-1-[(2S)-2-[4-(4-methoxybenzoyl)triazol-1-yl]-3,3-dimethylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 146151782
4-hydroxy-1-[(2S)-2-[4-(4-methoxybenzoyl)triazol-1-yl]-3,3-dimethylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 175466521
(2R)-1-[2-[4-(5-chloro-2-methoxyphenyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466074
(2S,4R)-4-hydroxy-1-[(2S)-2-[4-[(4-methoxyanilino)methyl]triazol-1-yl]-3,3-dimethylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 146151754
1-[(2S)-3,3-dimethyl-2-[4-(1-phenylcyclopropyl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466326
(2R)-1-[3,3-dimethyl-2-[4-(1-phenylcyclopropyl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466327
(2R)-1-[2-[4-[2-(difluoromethoxy)phenyl]triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466195
1-[(2S)-2-[4-(2-ethoxyphenyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466049

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (CID 163303095) is 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CC(O)CN1C(=O)C(C(C)C)n1nnc2c(OC)cccc21.
What is the InChIKey of 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is LVCPBAHKWBSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-10(2)16(18(26)22-9-11(24)8-13(22)17(25)19-3)23-12-6-5-7-14(27-4)15(12)20-21-23/h5-7,10-11,13,16,24H,8-9H2,1-4H3,(H,19,25).
What are the key properties of 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).