N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

C21H21N3O4 — CID 87010587

IUPACN-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCOc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-2-27-18-9-4-8-17(13-18)24-21(26)22-14-15-6-3-7-16(12-15)23-20(25)19-10-5-11-28-19/h3-13H,2,14H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyCHFBWXOORSSESM-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 87010587) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID87010587
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCCOc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-2-27-18-9-4-8-17(13-18)24-21(26)22-14-15-6-3-7-16(12-15)23-20(25)19-10-5-11-28-19/h3-13H,2,14H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyCHFBWXOORSSESM-UHFFFAOYSA-N
XLogP4.25
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-[[(3-pyridin-4-yloxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 86940328
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[3-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55868511
N-[3-[[4-(2-ethoxyphenoxy)butanoylamino]methyl]phenyl]furan-2-carboxamide
CID 39228981
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[3-(3-methylbutoxy)phenyl]furan-2-carboxamide
CID 17097239
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
N-[3-[[(4-propan-2-yloxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39228978
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 87010587) is N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is CCOc1cccc(NC(=O)NCc2cccc(NC(=O)c3ccco3)c2)c1.
What is the InChIKey of N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is CHFBWXOORSSESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-27-18-9-4-8-17(13-18)24-21(26)22-14-15-6-3-7-16(12-15)23-20(25)19-10-5-11-28-19/h3-13H,2,14H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-ethoxyphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 87010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).