N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

C25H26N4O4 — CID 55629630

IUPACN-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-16(18-9-11-20(12-10-18)28-23(30)19-7-8-19)27-25(32)26-15-17-4-2-5-21(14-17)29-24(31)22-6-3-13-33-22/h2-6,9-14,16,19H,7-8,15H2,1H3,(H,28,30)(H,29,31)(H2,26,27,32)
InChIKeyKTUBSQJQMNGIPA-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.44
Rot. Bonds8

About N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 55629630) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID55629630
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCC(NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H26N4O4/c1-16(18-9-11-20(12-10-18)28-23(30)19-7-8-19)27-25(32)26-15-17-4-2-5-21(14-17)29-24(31)22-6-3-13-33-22/h2-6,9-14,16,19H,7-8,15H2,1H3,(H,28,30)(H,29,31)(H2,26,27,32)
InChIKeyKTUBSQJQMNGIPA-UHFFFAOYSA-N
XLogP4.44
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[3-[[1-(2-fluorophenyl)ethylcarbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46673676
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-[4-[[1-(2-methylphenyl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 42935867
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 55629630) is N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is CC(NC(=O)NCc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is KTUBSQJQMNGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-16(18-9-11-20(12-10-18)28-23(30)19-7-8-19)27-25(32)26-15-17-4-2-5-21(14-17)29-24(31)22-6-3-13-33-22/h2-6,9-14,16,19H,7-8,15H2,1H3,(H,28,30)(H,29,31)(H2,26,27,32).
What are the key properties of N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 4.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55629630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).