N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide

C12H18N2O4 — CID 104709123

IUPACN-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CCCO)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-2-14(6-4-7-15)11(16)9-13-12(17)10-5-3-8-18-10/h3,5,8,15H,2,4,6-7,9H2,1H3,(H,13,17)
InChIKeyNEFVMFAOUHMRFR-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds7

About N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 104709123) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID104709123
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESCCN(CCCO)C(=O)CNC(=O)c1ccco1
InChIInChI=1S/C12H18N2O4/c1-2-14(6-4-7-15)11(16)9-13-12(17)10-5-3-8-18-10/h3,5,8,15H,2,4,6-7,9H2,1H3,(H,13,17)
InChIKeyNEFVMFAOUHMRFR-UHFFFAOYSA-N
XLogP0.24
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

2-[2-(dimethylamino)ethyl-[2-(furan-2-carbonylamino)acetyl]amino]acetic acid
CID 107423415
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
CID 39237533
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
N-[4-[2-hydroxyethyl(methyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 60740288
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
N-[3-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 78861839
2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264824
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-(3-hydroxypropyl)-N-propan-2-ylfuran-2-carboxamide
CID 61040244
2-chloro-N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 60670695
3-[ethyl-[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 61008405

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 104709123) is N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide is CCN(CCCO)C(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is NEFVMFAOUHMRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-14(6-4-7-15)11(16)9-13-12(17)10-5-3-8-18-10/h3,5,8,15H,2,4,6-7,9H2,1H3,(H,13,17).
What are the key properties of N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 104709123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).