3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide

C18H28N2O2 — CID 95156086

IUPAC3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)N(C)C(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-9-15(2)19(4)18(22)12-13-20(16(3)21)14-17-10-7-6-8-11-17/h6-8,10-11,15H,5,9,12-14H2,1-4H3/t15-/m0/s1
InChIKeyXOLJRZDIGRGCBV-HNNXBMFYSA-N
MW304.43 g/mol
LogP3.07
Rot. Bonds8

About 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide

3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 95156086) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide
PubChem CID95156086
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)N(C)C(=O)CCN(Cc1ccccc1)C(C)=O
InChIInChI=1S/C18H28N2O2/c1-5-9-15(2)19(4)18(22)12-13-20(16(3)21)14-17-10-7-6-8-11-17/h6-8,10-11,15H,5,9,12-14H2,1-4H3/t15-/m0/s1
InChIKeyXOLJRZDIGRGCBV-HNNXBMFYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide (CID 95156086) is 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)N(C)C(=O)CCN(Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide?
The InChIKey is XOLJRZDIGRGCBV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-5-9-15(2)19(4)18(22)12-13-20(16(3)21)14-17-10-7-6-8-11-17/h6-8,10-11,15H,5,9,12-14H2,1-4H3/t15-/m0/s1.
What are the key properties of 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide?
3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(benzyl)amino]-N-methyl-N-[(2S)-pentan-2-yl]propanamide is sourced from PubChem (CID 95156086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).