2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide

C17H22N2O2 — CID 63085829

IUPAC2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
SMILESCC(Cc1ccco1)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-13(11-16-5-4-10-21-16)18-15-8-6-14(7-9-15)12-17(20)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyWXIRBSXYGAMDPD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds6

About 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide

2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 63085829) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
PubChem CID63085829
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide
SMILESCC(Cc1ccco1)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C17H22N2O2/c1-13(11-16-5-4-10-21-16)18-15-8-6-14(7-9-15)12-17(20)19(2)3/h4-10,13,18H,11-12H2,1-3H3
InChIKeyWXIRBSXYGAMDPD-UHFFFAOYSA-N
XLogP2.95
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
4-[1-(furan-2-yl)propan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 61043893
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxyaniline
CID 63098725
3-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 63098734
2-bromo-4-[1-(furan-2-yl)propan-2-ylamino]benzoic acid
CID 107281770
2-chloro-4-[1-(furan-2-yl)propan-2-ylamino]benzamide
CID 63085843
N-[1-(furan-2-yl)propan-2-yl]-3,5-dimethylaniline
CID 63099916
methyl 2-fluoro-5-[1-(furan-2-yl)propan-2-ylamino]benzoate
CID 63086324
2-[1-(furan-2-yl)propan-2-ylamino]-N-(4-methylphenyl)acetamide
CID 61043887
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
6-bromo-N-[1-(furan-2-yl)propan-2-yl]naphthalen-2-amine
CID 81260554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide (CID 63085829) is 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide is CC(Cc1ccco1)Nc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is WXIRBSXYGAMDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13(11-16-5-4-10-21-16)18-15-8-6-14(7-9-15)12-17(20)19(2)3/h4-10,13,18H,11-12H2,1-3H3.
What are the key properties of 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide?
2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 286.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(furan-2-yl)propan-2-ylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 63085829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).