N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

C12H18N2O4 — CID 60653730

IUPACN-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCN(CCO)C(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-3-14(6-7-15)12(17)9(2)13-11(16)10-5-4-8-18-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,16)
InChIKeyHNPLHGXWBDRPFQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds6

About N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide

N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 60653730) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID60653730
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SMILESCCN(CCO)C(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-3-14(6-7-15)12(17)9(2)13-11(16)10-5-4-8-18-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,16)
InChIKeyHNPLHGXWBDRPFQ-UHFFFAOYSA-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

N-[1-[2-hydroxyethyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60652573
3-[[(2S)-2-(furan-2-carbonylamino)propanoyl]-(2-methylpropyl)amino]propanoic acid
CID 129414649
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
2-[ethyl-[2-(furan-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62818067
4-[benzyl-[2-(furan-2-carbonylamino)propanoyl]amino]butanoic acid
CID 120536344
N-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51147843
N-[1-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51143508
N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 4884407
2-acetamido-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60670670
2-[tert-butyl-[2-(furan-2-carbonylamino)propanoyl]amino]acetic acid
CID 79262022
N-[1-(2-aminoethylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119384374

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide (CID 60653730) is N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is CCN(CCO)C(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is HNPLHGXWBDRPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-14(6-7-15)12(17)9(2)13-11(16)10-5-4-8-18-10/h4-5,8-9,15H,3,6-7H2,1-2H3,(H,13,16).
What are the key properties of N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide?
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-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-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 60653730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).