N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide

C21H26N2O6 — CID 55707327

IUPACN-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)CCNC(=O)c2ccco2)ccc1OCC1CCCO1
InChIInChI=1S/C21H26N2O6/c1-26-19-12-15(6-7-17(19)29-14-16-4-2-10-27-16)13-23-20(24)8-9-22-21(25)18-5-3-11-28-18/h3,5-7,11-12,16H,2,4,8-10,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyHCGXRYSXUBBHNV-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.28
Rot. Bonds10

About N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 55707327) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID55707327
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
SMILESCOc1cc(CNC(=O)CCNC(=O)c2ccco2)ccc1OCC1CCCO1
InChIInChI=1S/C21H26N2O6/c1-26-19-12-15(6-7-17(19)29-14-16-4-2-10-27-16)13-23-20(24)8-9-22-21(25)18-5-3-11-28-18/h3,5-7,11-12,16H,2,4,8-10,13-14H2,1H3,(H,22,25)(H,23,24)
InChIKeyHCGXRYSXUBBHNV-UHFFFAOYSA-N
XLogP2.28
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
N-[4-[(4-butoxy-3-methoxyphenyl)methylamino]-4-oxobutyl]furan-2-carboxamide
CID 39971238
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
5-bromo-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 55708262
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589
2-(4-tert-butylphenyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 55707193
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46475593
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide (CID 55707327) is N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide is COc1cc(CNC(=O)CCNC(=O)c2ccco2)ccc1OCC1CCCO1.
What is the InChIKey of N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is HCGXRYSXUBBHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-26-19-12-15(6-7-17(19)29-14-16-4-2-10-27-16)13-23-20(24)8-9-22-21(25)18-5-3-11-28-18/h3,5-7,11-12,16H,2,4,8-10,13-14H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 55707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).