N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

C18H26N2O3 — CID 97306496

IUPACN-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1
InChIInChI=1S/C18H26N2O3/c1-4-12(2)16(18(23)20(3)14-10-15(21)11-14)19-17(22)13-8-6-5-7-9-13/h5-9,12,14-16,21H,4,10-11H2,1-3H3,(H,19,22)/t12-,14?,15?,16-/m0/s1
InChIKeyTVBWGTLHBMXQGD-MFNGEMCRSA-N
MW318.42 g/mol
LogP1.81
Rot. Bonds6

About N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 97306496) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID97306496
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1
InChIInChI=1S/C18H26N2O3/c1-4-12(2)16(18(23)20(3)14-10-15(21)11-14)19-17(22)13-8-6-5-7-9-13/h5-9,12,14-16,21H,4,10-11H2,1-3H3,(H,19,22)/t12-,14?,15?,16-/m0/s1
InChIKeyTVBWGTLHBMXQGD-MFNGEMCRSA-N
XLogP1.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide (CID 97306496) is N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N(C)C1CC(O)C1.
What is the InChIKey of N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is TVBWGTLHBMXQGD-MFNGEMCRSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-12(2)16(18(23)20(3)14-10-15(21)11-14)19-17(22)13-8-6-5-7-9-13/h5-9,12,14-16,21H,4,10-11H2,1-3H3,(H,19,22)/t12-,14?,15?,16-/m0/s1.
What are the key properties of N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-[(3-hydroxycyclobutyl)-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 97306496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).