N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide

C24H26N2O3 — CID 56533885

IUPACN-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C24H26N2O3/c27-24(23-19(14-15-28-23)17-29-22-8-2-1-3-9-22)26-21-12-10-20(11-13-21)25-16-18-6-4-5-7-18/h1-3,8-15,18,25H,4-7,16-17H2,(H,26,27)
InChIKeyVZBMPORHEHYJDC-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.71
Rot. Bonds8

About N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 56533885) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID56533885
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(NCC2CCCC2)cc1)c1occc1COc1ccccc1
InChIInChI=1S/C24H26N2O3/c27-24(23-19(14-15-28-23)17-29-22-8-2-1-3-9-22)26-21-12-10-20(11-13-21)25-16-18-6-4-5-7-18/h1-3,8-15,18,25H,4-7,16-17H2,(H,26,27)
InChIKeyVZBMPORHEHYJDC-UHFFFAOYSA-N
XLogP5.71
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51314093
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718
cis-(1S,3R)-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675727
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
CID 30138413
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 56533885) is N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide is O=C(Nc1ccc(NCC2CCCC2)cc1)c1occc1COc1ccccc1.
What is the InChIKey of N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is VZBMPORHEHYJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-24(23-19(14-15-28-23)17-29-22-8-2-1-3-9-22)26-21-12-10-20(11-13-21)25-16-18-6-4-5-7-18/h1-3,8-15,18,25H,4-7,16-17H2,(H,26,27).
What are the key properties of N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 56533885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).