N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide

C26H25NO4 — CID 2937179

IUPACN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccoc2)cc1
InChIInChI=1S/C26H25NO4/c1-29-23-11-9-20(10-12-23)18-27(26(28)22-14-17-30-19-22)15-13-24(25-8-5-16-31-25)21-6-3-2-4-7-21/h2-12,14,16-17,19,24H,13,15,18H2,1H3
InChIKeyKKPUZWPGDJLPSY-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.75
Rot. Bonds9

About N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide

N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide (PubChem CID 2937179) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide
PubChem CID2937179
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC NameN-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccoc2)cc1
InChIInChI=1S/C26H25NO4/c1-29-23-11-9-20(10-12-23)18-27(26(28)22-14-17-30-19-22)15-13-24(25-8-5-16-31-25)21-6-3-2-4-7-21/h2-12,14,16-17,19,24H,13,15,18H2,1H3
InChIKeyKKPUZWPGDJLPSY-UHFFFAOYSA-N
XLogP5.75
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
CID 1426584
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
CID 42696184
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]propanamide
CID 1427599
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]acetamide
CID 1306729
1-(furan-3-yl)-2-(4-methoxyphenyl)ethanone
CID 61055091
[4-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] methanesulfonate
CID 3367007

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide (CID 2937179) is N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide is COc1ccc(CN(CCC(c2ccccc2)c2ccco2)C(=O)c2ccoc2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide?
The InChIKey is KKPUZWPGDJLPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-29-23-11-9-20(10-12-23)18-27(26(28)22-14-17-30-19-22)15-13-24(25-8-5-16-31-25)21-6-3-2-4-7-21/h2-12,14,16-17,19,24H,13,15,18H2,1H3.
What are the key properties of N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide?
N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide has a molecular weight of 415.49 g/mol, XLogP of 5.75, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-3-phenylpropyl]-N-[(4-methoxyphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 2937179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).