N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide

C26H31NO3 — CID 3841014

IUPACN-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1
InChIInChI=1S/C26H31NO3/c1-4-26(28)27(19-24-11-8-18-29-24)17-16-25(21-9-6-5-7-10-21)22-12-14-23(15-13-22)30-20(2)3/h5-15,18,20,25H,4,16-17,19H2,1-3H3
InChIKeyRTXCJBCDOYBERV-UHFFFAOYSA-N
MW405.54 g/mol
LogP6.03
Rot. Bonds10

About N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide

N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 3841014) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID3841014
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC NameN-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1
InChIInChI=1S/C26H31NO3/c1-4-26(28)27(19-24-11-8-18-29-24)17-16-25(21-9-6-5-7-10-21)22-12-14-23(15-13-22)30-20(2)3/h5-15,18,20,25H,4,16-17,19H2,1-3H3
InChIKeyRTXCJBCDOYBERV-UHFFFAOYSA-N
XLogP6.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-[4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]propanamide
CID 3487759
N-benzyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 4610480
N-[(3R)-3-(2-methoxyphenyl)-3-(4-methoxyphenyl)propyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 25426230
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(2-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 40877913
N-benzyl-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2938663
N-[[4-(dimethylamino)phenyl]methyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]propanamide
CID 1426584
N-[3-(4-fluorophenyl)-3-(4-propan-2-yloxyphenyl)propyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 4649390
N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
N-[(3S)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-N-[(2-fluorophenyl)methyl]propanamide
CID 1384951
N-benzyl-2-ethoxy-N-(furan-2-ylmethyl)acetamide
CID 52556901
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide (CID 3841014) is N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is CCC(=O)N(CCC(c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is RTXCJBCDOYBERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-4-26(28)27(19-24-11-8-18-29-24)17-16-25(21-9-6-5-7-10-21)22-12-14-23(15-13-22)30-20(2)3/h5-15,18,20,25H,4,16-17,19H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide?
N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 405.54 g/mol, XLogP of 6.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 3841014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).