propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate

C19H23NO6 — CID 55788987

IUPACpropan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
SMILESCOc1ccccc1OCc1ccc(C(=O)NCCC(=O)OC(C)C)o1
InChIInChI=1S/C19H23NO6/c1-13(2)25-18(21)10-11-20-19(22)17-9-8-14(26-17)12-24-16-7-5-4-6-15(16)23-3/h4-9,13H,10-12H2,1-3H3,(H,20,22)
InChIKeyNTMBWKRZNCTQBM-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.94
Rot. Bonds9

About propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate

propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate (PubChem CID 55788987) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
PubChem CID55788987
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Namepropan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
SMILESCOc1ccccc1OCc1ccc(C(=O)NCCC(=O)OC(C)C)o1
InChIInChI=1S/C19H23NO6/c1-13(2)25-18(21)10-11-20-19(22)17-9-8-14(26-17)12-24-16-7-5-4-6-15(16)23-3/h4-9,13H,10-12H2,1-3H3,(H,20,22)
InChIKeyNTMBWKRZNCTQBM-UHFFFAOYSA-N
XLogP2.94
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660443
N-(4-ethoxyphenyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467513
methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781590
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55763452
N-(3-indol-1-ylpropyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 55791961
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate (CID 55788987) is propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate is COc1ccccc1OCc1ccc(C(=O)NCCC(=O)OC(C)C)o1.
What is the InChIKey of propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate?
The InChIKey is NTMBWKRZNCTQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-13(2)25-18(21)10-11-20-19(22)17-9-8-14(26-17)12-24-16-7-5-4-6-15(16)23-3/h4-9,13H,10-12H2,1-3H3,(H,20,22).
What are the key properties of propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate?
propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate has a molecular weight of 361.39 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate is sourced from PubChem (CID 55788987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).