N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide

C13H20N2O4 — CID 64555440

IUPACN-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCC(C)(CO)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-3-13(2,9-16)15-11(17)6-7-14-12(18)10-5-4-8-19-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyDUBGEKWWTQFXRY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.68
Rot. Bonds7

About N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 64555440) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID64555440
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide
SMILESCCC(C)(CO)NC(=O)CCNC(=O)c1ccco1
InChIInChI=1S/C13H20N2O4/c1-3-13(2,9-16)15-11(17)6-7-14-12(18)10-5-4-8-19-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyDUBGEKWWTQFXRY-UHFFFAOYSA-N
XLogP0.68
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 104709146
2-cyclopropyl-2-[3-(furan-2-carbonylamino)propanoylamino]propanoic acid
CID 43360356
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
CID 103602259
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
3-(furan-2-carbonylamino)propanoic acid
CID 762504
4-[3-(furan-2-carbonylamino)propanoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66002517
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
3-[4-(furan-2-carbonylamino)butanoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66172562
N-[3-[[2-(4-bromophenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 55716370

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide (CID 64555440) is N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is CCC(C)(CO)NC(=O)CCNC(=O)c1ccco1.
What is the InChIKey of N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is DUBGEKWWTQFXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-3-13(2,9-16)15-11(17)6-7-14-12(18)10-5-4-8-19-10/h4-5,8,16H,3,6-7,9H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-hydroxy-2-methylbutan-2-yl)amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 64555440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).