N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide

C20H27NO3 — CID 78835063

IUPACN-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCCCOCc1ccco1)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-16(2)19(17-9-5-4-6-10-17)20(22)21-12-8-13-23-15-18-11-7-14-24-18/h4-7,9-11,14,16,19H,3,8,12-13,15H2,1-2H3,(H,21,22)
InChIKeyUDVXYBHUBJBJSQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP4.13
Rot. Bonds10

About N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide

N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide (PubChem CID 78835063) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
PubChem CID78835063
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NCCCOCc1ccco1)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-16(2)19(17-9-5-4-6-10-17)20(22)21-12-8-13-23-15-18-11-7-14-24-18/h4-7,9-11,14,16,19H,3,8,12-13,15H2,1-2H3,(H,21,22)
InChIKeyUDVXYBHUBJBJSQ-UHFFFAOYSA-N
XLogP4.13
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
N-[3-(furan-2-ylmethoxy)propyl]-2-(4-phenylphenoxy)propanamide
CID 55615781
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenylpropyl)guanidine
CID 111343385
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
CID 94176412
1-[2-(dimethylamino)-2-phenylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111399738
tert-butyl N-[3-[3-(furan-2-ylmethoxy)propylamino]propyl]carbamate
CID 103821653

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide (CID 78835063) is N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NCCCOCc1ccco1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide?
The InChIKey is UDVXYBHUBJBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-16(2)19(17-9-5-4-6-10-17)20(22)21-12-8-13-23-15-18-11-7-14-24-18/h4-7,9-11,14,16,19H,3,8,12-13,15H2,1-2H3,(H,21,22).
What are the key properties of N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide?
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide has a molecular weight of 329.44 g/mol, XLogP of 4.13, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 78835063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).