N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C18H31N3O3 — CID 94815752

IUPACN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C18H31N3O3/c1-6-21(7-2)10-8-9-13(3)20-17(22)12-19-18(23)16-11-14(4)24-15(16)5/h11,13H,6-10,12H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyBHJINORPJWZUJM-CYBMUJFWSA-N
MW337.46 g/mol
LogP2.25
Rot. Bonds10

About N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 94815752) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID94815752
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC NameN-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCN(CC)CCC[C@@H](C)NC(=O)CNC(=O)c1cc(C)oc1C
InChIInChI=1S/C18H31N3O3/c1-6-21(7-2)10-8-9-13(3)20-17(22)12-19-18(23)16-11-14(4)24-15(16)5/h11,13H,6-10,12H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1
InChIKeyBHJINORPJWZUJM-CYBMUJFWSA-N
XLogP2.25
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 94815752) is N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is CCN(CC)CCC[C@@H](C)NC(=O)CNC(=O)c1cc(C)oc1C.
What is the InChIKey of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is BHJINORPJWZUJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-6-21(7-2)10-8-9-13(3)20-17(22)12-19-18(23)16-11-14(4)24-15(16)5/h11,13H,6-10,12H2,1-5H3,(H,19,23)(H,20,22)/t13-/m1/s1.
What are the key properties of N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-5-(diethylamino)pentan-2-yl]amino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 94815752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).