2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

C13H20N2O2 — CID 119288095

IUPAC2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(15-13(16)9-14)3-4-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyUYPNSBCEIVDLGI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds6

About 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (PubChem CID 119288095) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
PubChem CID119288095
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CN)cc1
InChIInChI=1S/C13H20N2O2/c1-10(15-13(16)9-14)3-4-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeyUYPNSBCEIVDLGI-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
methyl (2S)-2-[4-(4-methoxyphenyl)butan-2-ylamino]-3-methylbutanoate
CID 43776073
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 94816754

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (CID 119288095) is 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is COc1ccc(CCC(C)NC(=O)CN)cc1.
What is the InChIKey of 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The InChIKey is UYPNSBCEIVDLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(15-13(16)9-14)3-4-11-5-7-12(17-2)8-6-11/h5-8,10H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 119288095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).