3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide

C17H28N2O4 — CID 97186150

IUPAC3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCC[C@H](C)N(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H28N2O4/c1-7-12(2)19(3)9-8-16(20)18-13-10-14(21-4)17(23-6)15(11-13)22-5/h10-12H,7-9H2,1-6H3,(H,18,20)/t12-/m0/s1
InChIKeyYCWXCLKTFSAAHC-LBPRGKRZSA-N
MW324.42 g/mol
LogP2.77
Rot. Bonds9

About 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide

3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 97186150) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID97186150
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCC[C@H](C)N(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H28N2O4/c1-7-12(2)19(3)9-8-16(20)18-13-10-14(21-4)17(23-6)15(11-13)22-5/h10-12H,7-9H2,1-6H3,(H,18,20)/t12-/m0/s1
InChIKeyYCWXCLKTFSAAHC-LBPRGKRZSA-N
XLogP2.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2R)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 97186149
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 56823979
3-(propylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109011622
3-(butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109012524
3-(N-methyl-2-phenylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 56525852
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
2-[ethyl(2-hydroxyethyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 31993751
3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113126987
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
N-(4-amino-2-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272523

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide (CID 97186150) is 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide is CC[C@H](C)N(C)CCC(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is YCWXCLKTFSAAHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-7-12(2)19(3)9-8-16(20)18-13-10-14(21-4)17(23-6)15(11-13)22-5/h10-12H,7-9H2,1-6H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide?
3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 324.42 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-butan-2-yl]-methylamino]-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 97186150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).