2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

C16H20N2O3 — CID 8917972

IUPAC2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-12(14-8-5-9-21-14)17-11-16(19)18-10-13-6-3-4-7-15(13)20-2/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyXQNBILFQHVBMNX-LBPRGKRZSA-N
MW288.35 g/mol
LogP2.26
Rot. Bonds7

About 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 8917972) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID8917972
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN[C@@H](C)c1ccco1
InChIInChI=1S/C16H20N2O3/c1-12(14-8-5-9-21-14)17-11-16(19)18-10-13-6-3-4-7-15(13)20-2/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyXQNBILFQHVBMNX-LBPRGKRZSA-N
XLogP2.26
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9335503
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 9307734
N-(cyanomethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 81400149
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8756444
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-cyclopropyl-2-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 62695631
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917883
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
N-[furan-2-yl(phenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 51217838
2-[2,6-di(propan-2-yl)anilino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998486

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 8917972) is 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN[C@@H](C)c1ccco1.
What is the InChIKey of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is XQNBILFQHVBMNX-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-12(14-8-5-9-21-14)17-11-16(19)18-10-13-6-3-4-7-15(13)20-2/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8917972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).