N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

C12H18N2O4 — CID 93041382

IUPACN-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC[C@H](CO)NC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-3-9(8-15)13-11(16)7-14(2)12(17)10-5-4-6-18-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyOIDAEEBJTAIJAJ-SECBINFHSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds6

About N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide

N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (PubChem CID 93041382) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
PubChem CID93041382
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
SMILESCC[C@H](CO)NC(=O)CN(C)C(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-3-9(8-15)13-11(16)7-14(2)12(17)10-5-4-6-18-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyOIDAEEBJTAIJAJ-SECBINFHSA-N
XLogP0.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]methyl]pentanoic acid
CID 81063172
N-[2-[[(4-fluorophenyl)-phenylmethyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55583339
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-[2-[[1-(4-butylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55543313
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
N-[2-[(1-anilino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 167896219
2-[furan-2-carbonyl(methyl)amino]acetate
CID 6943452
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 35563379
N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide (CID 93041382) is N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is CC[C@H](CO)NC(=O)CN(C)C(=O)c1ccco1.
What is the InChIKey of N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
The InChIKey is OIDAEEBJTAIJAJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-9(8-15)13-11(16)7-14(2)12(17)10-5-4-6-18-10/h4-6,9,15H,3,7-8H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide?
N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 93041382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).