N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

C24H26N4O3 — CID 86885500

IUPACN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H26N4O3/c29-23(22(28-14-4-5-15-28)18-7-2-1-3-8-18)26-19-10-12-20(13-11-19)27-24(30)25-17-21-9-6-16-31-21/h1-3,6-13,16,22H,4-5,14-15,17H2,(H,26,29)(H2,25,27,30)
InChIKeyBZRLJPUKMLAERF-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.38
Rot. Bonds7

About N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 86885500) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID86885500
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(NCc1ccco1)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1
InChIInChI=1S/C24H26N4O3/c29-23(22(28-14-4-5-15-28)18-7-2-1-3-8-18)26-19-10-12-20(13-11-19)27-24(30)25-17-21-9-6-16-31-21/h1-3,6-13,16,22H,4-5,14-15,17H2,(H,26,29)(H2,25,27,30)
InChIKeyBZRLJPUKMLAERF-UHFFFAOYSA-N
XLogP4.38
TPSA86.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 47783596
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
CID 60590963
N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 95145619
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875
2-phenyl-N-[4-(propylsulfonylamino)phenyl]-2-pyrrolidin-1-ylacetamide
CID 86886985
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
(2S)-2-phenyl-2-pyrrolidin-1-yl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 52523009
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 86885500) is N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(NCc1ccco1)Nc1ccc(NC(=O)C(c2ccccc2)N2CCCC2)cc1.
What is the InChIKey of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is BZRLJPUKMLAERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-23(22(28-14-4-5-15-28)18-7-2-1-3-8-18)26-19-10-12-20(13-11-19)27-24(30)25-17-21-9-6-16-31-21/h1-3,6-13,16,22H,4-5,14-15,17H2,(H,26,29)(H2,25,27,30).
What are the key properties of N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 418.50 g/mol, XLogP of 4.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 86885500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).