N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide

C22H22N2O5 — CID 9453044

IUPACN-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(21(25)23-14-18-6-5-13-28-18)29-17-11-9-16(10-12-17)24-22(26)19-7-3-4-8-20(19)27-2/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyRDMFDCMVLOJRQO-OAHLLOKOSA-N
MW394.43 g/mol
LogP3.62
Rot. Bonds8

About N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide

N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide (PubChem CID 9453044) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide
PubChem CID9453044
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC NameN-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C22H22N2O5/c1-15(21(25)23-14-18-6-5-13-28-18)29-17-11-9-16(10-12-17)24-22(26)19-7-3-4-8-20(19)27-2/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1
InChIKeyRDMFDCMVLOJRQO-OAHLLOKOSA-N
XLogP3.62
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 26909573
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CID 9110835
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
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CID 9116644
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-2-methoxybenzamide
CID 71791204
2-N-(furan-2-ylmethyl)-6-N-(4-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
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N-[4-[2-(4-methoxyphenoxy)propanoylamino]phenyl]furan-2-carboxamide
CID 51327622

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide (CID 9453044) is N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide?
The InChIKey is RDMFDCMVLOJRQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-15(21(25)23-14-18-6-5-13-28-18)29-17-11-9-16(10-12-17)24-22(26)19-7-3-4-8-20(19)27-2/h3-13,15H,14H2,1-2H3,(H,23,25)(H,24,26)/t15-/m1/s1.
What are the key properties of N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide?
N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide has a molecular weight of 394.43 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxyphenyl]-2-methoxybenzamide is sourced from PubChem (CID 9453044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).