N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide

C12H18N2O3 — CID 80712559

IUPACN-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
SMILESCC(NC1CCOC1)C(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(14-10-4-6-16-8-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,9-10,14H,4,6-8H2,1H3,(H,13,15)
InChIKeyXWFZXZMEACIEHN-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.66
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide

N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide (PubChem CID 80712559) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
PubChem CID80712559
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide
SMILESCC(NC1CCOC1)C(=O)NCc1ccco1
InChIInChI=1S/C12H18N2O3/c1-9(14-10-4-6-16-8-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,9-10,14H,4,6-8H2,1H3,(H,13,15)
InChIKeyXWFZXZMEACIEHN-UHFFFAOYSA-N
XLogP0.66
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(cyclopent-3-en-1-ylamino)-N-(furan-2-ylmethyl)propanamide
CID 113475228
2-[(4-ethylcyclohexyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61469898
tert-butyl N-[3-[[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]cyclobutyl]carbamate
CID 100662508
3-(furan-2-ylmethyl)-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 91905754
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide (CID 80712559) is N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide is CC(NC1CCOC1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide?
The InChIKey is XWFZXZMEACIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(14-10-4-6-16-8-10)12(15)13-7-11-3-2-5-17-11/h2-3,5,9-10,14H,4,6-8H2,1H3,(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide?
N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(oxolan-3-ylamino)propanamide is sourced from PubChem (CID 80712559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).