N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide

C16H25NO3 — CID 2220291

IUPACN-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N[C@@H](C)CC)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-9-20-14-8-7-13(10-15(14)19-4)11-16(18)17-12(3)6-2/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyKJOSFPHJMBGHFY-LBPRGKRZSA-N
MW279.38 g/mol
LogP2.94
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide

N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide (PubChem CID 2220291) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
PubChem CID2220291
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(CC(=O)N[C@@H](C)CC)cc1OC
InChIInChI=1S/C16H25NO3/c1-5-9-20-14-8-7-13(10-15(14)19-4)11-16(18)17-12(3)6-2/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,17,18)/t12-/m0/s1
InChIKeyKJOSFPHJMBGHFY-LBPRGKRZSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
N'-butan-2-yl-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108941786
N-butan-2-yl-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 60956837
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid;hydrochloride
CID 163331555
N-[(3-methoxy-4-propoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 3658845
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[(2R)-butan-2-yl]-2-(2-methoxyphenyl)acetamide
CID 40537959
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-phenoxybutanamide
CID 54776981
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 62651972

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide (CID 2220291) is N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide is CCCOc1ccc(CC(=O)N[C@@H](C)CC)cc1OC.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide?
The InChIKey is KJOSFPHJMBGHFY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-9-20-14-8-7-13(10-15(14)19-4)11-16(18)17-12(3)6-2/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide?
N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-methoxy-4-propoxyphenyl)acetamide is sourced from PubChem (CID 2220291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).