(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide

C15H23N3O4 — CID 95145817

IUPAC(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide
SMILESC[C@@H](NC(=O)NCC[C@H]1CCCO1)C(=O)NCc1ccco1
InChIInChI=1S/C15H23N3O4/c1-11(14(19)17-10-13-5-3-9-22-13)18-15(20)16-7-6-12-4-2-8-21-12/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,19)(H2,16,18,20)/t11-,12-/m1/s1
InChIKeyBBAIVWUJKVVDGR-VXGBXAGGSA-N
MW309.37 g/mol
LogP1.15
Rot. Bonds7

About (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide

(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide (PubChem CID 95145817) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide
PubChem CID95145817
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide
SMILESC[C@@H](NC(=O)NCC[C@H]1CCCO1)C(=O)NCc1ccco1
InChIInChI=1S/C15H23N3O4/c1-11(14(19)17-10-13-5-3-9-22-13)18-15(20)16-7-6-12-4-2-8-21-12/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,19)(H2,16,18,20)/t11-,12-/m1/s1
InChIKeyBBAIVWUJKVVDGR-VXGBXAGGSA-N
XLogP1.15
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[2-[(2S)-oxolan-2-yl]ethylcarbamoylamino]propanamide
CID 95145815
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
N-[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]propan-2-yl]furan-2-carboxamide
CID 34747152
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-(cyclobutylamino)-N-(furan-2-ylmethyl)propanamide
CID 62414574
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110025026
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(2R)-2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]-N-phenylpropanamide
CID 95767130
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
1-(furan-2-ylmethyl)-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 972556

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide?
The IUPAC name of (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide (CID 95145817) is (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide?
The canonical SMILES for (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide is C[C@@H](NC(=O)NCC[C@H]1CCCO1)C(=O)NCc1ccco1.
What is the InChIKey of (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide?
The InChIKey is BBAIVWUJKVVDGR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-11(14(19)17-10-13-5-3-9-22-13)18-15(20)16-7-6-12-4-2-8-21-12/h3,5,9,11-12H,2,4,6-8,10H2,1H3,(H,17,19)(H2,16,18,20)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide?
(2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide has a molecular weight of 309.37 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(furan-2-ylmethyl)-2-[2-[(2R)-oxolan-2-yl]ethylcarbamoylamino]propanamide is sourced from PubChem (CID 95145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).