3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide

C11H18N2O2 — CID 115711461

IUPAC3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCc1ccoc1
InChIInChI=1S/C11H18N2O2/c1-9(6-11(14)13(2)3)12-7-10-4-5-15-8-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyIECGHNDMMHYKDX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.24
Rot. Bonds5

About 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide

3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide (PubChem CID 115711461) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
PubChem CID115711461
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)NCc1ccoc1
InChIInChI=1S/C11H18N2O2/c1-9(6-11(14)13(2)3)12-7-10-4-5-15-8-10/h4-5,8-9,12H,6-7H2,1-3H3
InChIKeyIECGHNDMMHYKDX-UHFFFAOYSA-N
XLogP1.24
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
N,N-dimethyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]butanamide
CID 131963182
(3R)-N,N-dimethyl-3-[(4-morpholin-4-ylsulfonylphenyl)methylamino]butanamide
CID 25480950
4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
CID 66431862
3-[(5-bromothiophen-3-yl)methylamino]-N,N-dimethylbutanamide
CID 115709425
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
(3S)-3-[(3-bromo-5-fluorophenyl)methylamino]-N,N-dimethylbutanamide
CID 97230430
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide?
The IUPAC name of 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide (CID 115711461) is 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide.
What is the SMILES notation for 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide?
The canonical SMILES for 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)NCc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide?
The InChIKey is IECGHNDMMHYKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(6-11(14)13(2)3)12-7-10-4-5-15-8-10/h4-5,8-9,12H,6-7H2,1-3H3.
What are the key properties of 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide?
3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide has a molecular weight of 210.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide is sourced from PubChem (CID 115711461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).