N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide

C19H28N2O3 — CID 120948573

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCC2CNCC2O)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)9-14-3-5-15(6-4-14)17(22)7-8-19(24)21-11-16-10-20-12-18(16)23/h3-6,13,16,18,20,23H,7-12H2,1-2H3,(H,21,24)
InChIKeyFTRSUNVSVPZRMV-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.54
Rot. Bonds8

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (PubChem CID 120948573) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
PubChem CID120948573
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide
SMILESCC(C)Cc1ccc(C(=O)CCC(=O)NCC2CNCC2O)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)9-14-3-5-15(6-4-14)17(22)7-8-19(24)21-11-16-10-20-12-18(16)23/h3-6,13,16,18,20,23H,7-12H2,1-2H3,(H,21,24)
InChIKeyFTRSUNVSVPZRMV-UHFFFAOYSA-N
XLogP1.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide (CID 120948573) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is CC(C)Cc1ccc(C(=O)CCC(=O)NCC2CNCC2O)cc1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
The InChIKey is FTRSUNVSVPZRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)9-14-3-5-15(6-4-14)17(22)7-8-19(24)21-11-16-10-20-12-18(16)23/h3-6,13,16,18,20,23H,7-12H2,1-2H3,(H,21,24).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide has a molecular weight of 332.44 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[4-(2-methylpropyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 120948573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).