4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide

C17H21N3O3 — CID 95118026

IUPAC4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H21N3O3/c1-10-9-15(12(3)23-10)11(2)19-17(22)20-14-7-5-13(6-8-14)16(21)18-4/h5-9,11H,1-4H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1
InChIKeyKOMYVXFZFMHZCR-LLVKDONJSA-N
MW315.37 g/mol
LogP3.14
Rot. Bonds4

About 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide

4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide (PubChem CID 95118026) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
PubChem CID95118026
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1
InChIInChI=1S/C17H21N3O3/c1-10-9-15(12(3)23-10)11(2)19-17(22)20-14-7-5-13(6-8-14)16(21)18-4/h5-9,11H,1-4H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1
InChIKeyKOMYVXFZFMHZCR-LLVKDONJSA-N
XLogP3.14
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-hydrazinylbenzamide
CID 62248634
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(4-methoxy-3-methylphenyl)urea
CID 86856166
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
N-[3-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-4-methylphenyl]propanamide
CID 95129775
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(1-methylpyrazol-3-yl)urea
CID 95336400
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,N-dimethylbenzamide
CID 43682035
4-[[(2S)-1-methoxypropan-2-yl]carbamoylamino]-N-methylbenzamide
CID 94811602
1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60724113
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62175393
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(methylamino)pyridine-2-carboxamide
CID 62175226
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide?
The IUPAC name of 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide (CID 95118026) is 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1.
What is the InChIKey of 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide?
The InChIKey is KOMYVXFZFMHZCR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-10-9-15(12(3)23-10)11(2)19-17(22)20-14-7-5-13(6-8-14)16(21)18-4/h5-9,11H,1-4H3,(H,18,21)(H2,19,20,22)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide?
4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]carbamoylamino]-N-methylbenzamide is sourced from PubChem (CID 95118026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).