N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

C25H29NO4 — CID 19457169

IUPACN-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1
InChIInChI=1S/C25H29NO4/c1-25(2,19-8-5-4-6-9-19)20-10-12-21(13-11-20)29-18-22-14-15-23(30-22)24(27)26-16-7-17-28-3/h4-6,8-15H,7,16-18H2,1-3H3,(H,26,27)
InChIKeyFZXRSGLIJAMBMM-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.95
Rot. Bonds10

About N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide

N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (PubChem CID 19457169) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
PubChem CID19457169
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC NameN-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1
InChIInChI=1S/C25H29NO4/c1-25(2,19-8-5-4-6-9-19)20-10-12-21(13-11-20)29-18-22-14-15-23(30-22)24(27)26-16-7-17-28-3/h4-6,8-15H,7,16-18H2,1-3H3,(H,26,27)
InChIKeyFZXRSGLIJAMBMM-UHFFFAOYSA-N
XLogP4.95
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
N-(2-hydroxyphenyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455386
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19325798
4-[[5-[(4-tert-butylphenoxy)methyl]furan-2-carbonyl]amino]butanoyl chloride
CID 19452402
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455416
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19406478
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
3-[[5-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 126200596
5-[(4-tert-butylphenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 19452599
N-(2-methoxyethyl)-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448238
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-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide (CID 19457169) is N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is COCCCNC(=O)c1ccc(COc2ccc(C(C)(C)c3ccccc3)cc2)o1.
What is the InChIKey of N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
The InChIKey is FZXRSGLIJAMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-25(2,19-8-5-4-6-9-19)20-10-12-21(13-11-20)29-18-22-14-15-23(30-22)24(27)26-16-7-17-28-3/h4-6,8-15H,7,16-18H2,1-3H3,(H,26,27).
What are the key properties of N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide?
N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide is sourced from PubChem (CID 19457169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).