N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide

C14H24N2O3 — CID 62022579

IUPACN-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
SMILESCC(C)N(CCCO)CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O3/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3
InChIKeyFAMHDJZBTQZUFN-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide

N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide (PubChem CID 62022579) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
PubChem CID62022579
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide
SMILESCC(C)N(CCCO)CC(=O)N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O3/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3
InChIKeyFAMHDJZBTQZUFN-UHFFFAOYSA-N
XLogP1.33
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 62022578
2-[[furan-2-ylmethyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 61198284
2-[3-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 62013841
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 107485690
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
4-amino-N-(furan-2-ylmethyl)-N-methylpentanamide;hydrochloride
CID 120566075
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
5-[furan-2-ylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966065
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide (CID 62022579) is N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide is CC(C)N(CCCO)CC(=O)N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide?
The InChIKey is FAMHDJZBTQZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-12(2)16(7-5-8-17)11-14(18)15(3)10-13-6-4-9-19-13/h4,6,9,12,17H,5,7-8,10-11H2,1-3H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide?
N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide has a molecular weight of 268.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-hydroxypropyl(propan-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 62022579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).