N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

C20H30N2O3 — CID 109400064

IUPACN-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)N(C)CC2CCCC2O)C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)18(21-19(24)15-10-8-14(3)9-11-15)20(25)22(4)12-16-6-5-7-17(16)23/h8-11,13,16-18,23H,5-7,12H2,1-4H3,(H,21,24)
InChIKeyVTUHWSBLARPTRK-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.37
Rot. Bonds6

About N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide

N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (PubChem CID 109400064) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
PubChem CID109400064
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C(=O)N(C)CC2CCCC2O)C(C)C)cc1
InChIInChI=1S/C20H30N2O3/c1-13(2)18(21-19(24)15-10-8-14(3)9-11-15)20(25)22(4)12-16-6-5-7-17(16)23/h8-11,13,16-18,23H,5-7,12H2,1-4H3,(H,21,24)
InChIKeyVTUHWSBLARPTRK-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The IUPAC name of N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide (CID 109400064) is N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC(C(=O)N(C)CC2CCCC2O)C(C)C)cc1.
What is the InChIKey of N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
The InChIKey is VTUHWSBLARPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)18(21-19(24)15-10-8-14(3)9-11-15)20(25)22(4)12-16-6-5-7-17(16)23/h8-11,13,16-18,23H,5-7,12H2,1-4H3,(H,21,24).
What are the key properties of N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide?
N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide has a molecular weight of 346.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxycyclopentyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 109400064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).