3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide

C18H28N2O3 — CID 97050782

IUPAC3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCO[C@@H](C)CC(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-5-17(21)19-15-7-6-8-16(12-15)20-18(22)9-10-23-14(4)11-13(2)3/h6-8,12-14H,5,9-11H2,1-4H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyLOKZCLOOWDVFNK-AWEZNQCLSA-N
MW320.43 g/mol
LogP3.81
Rot. Bonds9

About 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide

3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 97050782) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID97050782
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCO[C@@H](C)CC(C)C)c1
InChIInChI=1S/C18H28N2O3/c1-5-17(21)19-15-7-6-8-16(12-15)20-18(22)9-10-23-14(4)11-13(2)3/h6-8,12-14H,5,9-11H2,1-4H3,(H,19,21)(H,20,22)/t14-/m0/s1
InChIKeyLOKZCLOOWDVFNK-AWEZNQCLSA-N
XLogP3.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[3-(4-methylpentan-2-yloxy)propanoylamino]benzoic acid
CID 119240293
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N-(3-aminophenyl)-4-butan-2-yloxybutanamide
CID 54943755
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
N-[3-(1-hydroxyethyl)phenyl]-3-propoxypropanamide
CID 55104060
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
2-bromo-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 61251306
N-(3-carbamothioylphenyl)-3-propan-2-yloxypropanamide
CID 24706022
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide (CID 97050782) is 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CCO[C@@H](C)CC(C)C)c1.
What is the InChIKey of 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is LOKZCLOOWDVFNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-5-17(21)19-15-7-6-8-16(12-15)20-18(22)9-10-23-14(4)11-13(2)3/h6-8,12-14H,5,9-11H2,1-4H3,(H,19,21)(H,20,22)/t14-/m0/s1.
What are the key properties of 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide?
3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 320.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-methylpentan-2-yl]oxy-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 97050782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).