2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide

C17H22N2O3 — CID 110634209

IUPAC2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
SMILESCN(C)C(C(=O)NOCCCc1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19(2)16(14-8-4-3-5-9-14)17(20)18-22-13-7-11-15-10-6-12-21-15/h3-6,8-10,12,16H,7,11,13H2,1-2H3,(H,18,20)
InChIKeySNSDMRWXIOWCOZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds8

About 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide

2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide (PubChem CID 110634209) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
PubChem CID110634209
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
SMILESCN(C)C(C(=O)NOCCCc1ccco1)c1ccccc1
InChIInChI=1S/C17H22N2O3/c1-19(2)16(14-8-4-3-5-9-14)17(20)18-22-13-7-11-15-10-6-12-21-15/h3-6,8-10,12,16H,7,11,13H2,1-2H3,(H,18,20)
InChIKeySNSDMRWXIOWCOZ-UHFFFAOYSA-N
XLogP2.56
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110634206
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
3-bromo-5-chloro-N-[3-(furan-2-yl)propoxy]benzamide
CID 110634306
2-[(2-methoxy-2-oxo-1-phenylethyl)-methylamino]acetic acid
CID 82345029
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
(2R)-2-(dimethylamino)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 94956250
ethane;2-(3-methoxypropyl)furan
CID 144595726
7-(furan-2-yl)-2-phenylheptanethioic S-acid
CID 88622330
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
CID 110406838
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide (CID 110634209) is 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide is CN(C)C(C(=O)NOCCCc1ccco1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide?
The InChIKey is SNSDMRWXIOWCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-19(2)16(14-8-4-3-5-9-14)17(20)18-22-13-7-11-15-10-6-12-21-15/h3-6,8-10,12,16H,7,11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide?
2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide has a molecular weight of 302.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide is sourced from PubChem (CID 110634209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).