N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

C25H29NO3 — CID 19455453

IUPACN-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1
InChIInChI=1S/C25H29NO3/c1-18(2)16-26-24(27)23-15-14-22(29-23)17-28-21-12-10-20(11-13-21)25(3,4)19-8-6-5-7-9-19/h5-15,18H,16-17H2,1-4H3,(H,26,27)
InChIKeyYSRANRCEPBNANE-UHFFFAOYSA-N
MW391.51 g/mol
LogP5.57
Rot. Bonds8

About N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (PubChem CID 19455453) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
PubChem CID19455453
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC NameN-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCC(C)CNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1
InChIInChI=1S/C25H29NO3/c1-18(2)16-26-24(27)23-15-14-22(29-23)17-28-21-12-10-20(11-13-21)25(3,4)19-8-6-5-7-9-19/h5-15,18H,16-17H2,1-4H3,(H,26,27)
InChIKeyYSRANRCEPBNANE-UHFFFAOYSA-N
XLogP5.57
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19457169
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455416
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19466908
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
methyl 5-methyl-2-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]thiophene-3-carboxylate
CID 19455480

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (CID 19455453) is N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is CC(C)CNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1.
What is the InChIKey of N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The InChIKey is YSRANRCEPBNANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-18(2)16-26-24(27)23-15-14-22(29-23)17-28-21-12-10-20(11-13-21)25(3,4)19-8-6-5-7-9-19/h5-15,18H,16-17H2,1-4H3,(H,26,27).
What are the key properties of N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is sourced from PubChem (CID 19455453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).