N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide

C15H18N2O2 — CID 43624586

IUPACN-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H18N2O2/c1-15(2,10-16)11-5-7-12(8-6-11)17-14(18)13-4-3-9-19-13/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyDSANHUXUDVDEIT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds4

About N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide (PubChem CID 43624586) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
PubChem CID43624586
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
SMILESCC(C)(CN)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C15H18N2O2/c1-15(2,10-16)11-5-7-12(8-6-11)17-14(18)13-4-3-9-19-13/h3-9H,10,16H2,1-2H3,(H,17,18)
InChIKeyDSANHUXUDVDEIT-UHFFFAOYSA-N
XLogP2.77
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 119700833
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(2,2-diphenylpropanoylamino)phenyl]furan-2-carboxamide
CID 1273131
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-[4-[[(E)-N'-nitrocarbamimidoyl]amino]phenyl]furan-2-carboxamide
CID 135504273
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide (CID 43624586) is N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide is CC(C)(CN)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is DSANHUXUDVDEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,10-16)11-5-7-12(8-6-11)17-14(18)13-4-3-9-19-13/h3-9H,10,16H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide?
N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 43624586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).