(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide

C14H19N3O3 — CID 94176412

IUPAC(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)NCCCOCc1ccco1)n1ccnc1
InChIInChI=1S/C14H19N3O3/c1-12(17-7-6-15-11-17)14(18)16-5-3-8-19-10-13-4-2-9-20-13/h2,4,6-7,9,11-12H,3,5,8,10H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXECQOYDSROXDHM-GFCCVEGCSA-N
MW277.32 g/mol
LogP1.76
Rot. Bonds8

About (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide

(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide (PubChem CID 94176412) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
PubChem CID94176412
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)NCCCOCc1ccco1)n1ccnc1
InChIInChI=1S/C14H19N3O3/c1-12(17-7-6-15-11-17)14(18)16-5-3-8-19-10-13-4-2-9-20-13/h2,4,6-7,9,11-12H,3,5,8,10H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyXECQOYDSROXDHM-GFCCVEGCSA-N
XLogP1.76
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
2-amino-N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfonylbutanamide
CID 61273619
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
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
2-(2-chlorophenoxy)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86925216
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111398843
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
(2R)-2-imidazol-1-yl-N-[2-(2-phenylphenoxy)ethyl]propanamide
CID 94817504
5-amino-N-[3-(furan-2-ylmethoxy)propyl]-1-methylpyrazole-4-carboxamide
CID 75397489

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide (CID 94176412) is (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)NCCCOCc1ccco1)n1ccnc1.
What is the InChIKey of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide?
The InChIKey is XECQOYDSROXDHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-12(17-7-6-15-11-17)14(18)16-5-3-8-19-10-13-4-2-9-20-13/h2,4,6-7,9,11-12H,3,5,8,10H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide has a molecular weight of 277.32 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94176412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).