N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

C25H25N3O5 — CID 46474980

IUPACN-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H25N3O5/c1-16(17-9-11-19(12-10-17)27-24(30)18-7-8-18)26-23(29)15-33-21-5-2-4-20(14-21)28-25(31)22-6-3-13-32-22/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyPRJWOVOVSYCAMD-UHFFFAOYSA-N
MW447.49 g/mol
LogP4.14
Rot. Bonds9

About N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 46474980) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
PubChem CID46474980
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC NameN-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H25N3O5/c1-16(17-9-11-19(12-10-17)27-24(30)18-7-8-18)26-23(29)15-33-21-5-2-4-20(14-21)28-25(31)22-6-3-13-32-22/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyPRJWOVOVSYCAMD-UHFFFAOYSA-N
XLogP4.14
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[3-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46546691
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 120508274
N-[3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethoxy]phenyl]furan-2-carboxamide;hydrochloride
CID 120508273
cis-(1S,3R)-3-[[2-[3-(furan-2-carbonylamino)phenoxy]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676823
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
N-[3-[2-(methanesulfonamido)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 56796448
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 46474980) is N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is CC(NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
The InChIKey is PRJWOVOVSYCAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-16(17-9-11-19(12-10-17)27-24(30)18-7-8-18)26-23(29)15-33-21-5-2-4-20(14-21)28-25(31)22-6-3-13-32-22/h2-6,9-14,16,18H,7-8,15H2,1H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide?
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 4.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46474980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).