N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide

C17H21N3O3 — CID 119700833

IUPACN-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(CN)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21N3O3/c1-17(2,11-18)16(22)19-10-12-5-7-13(8-6-12)20-15(21)14-4-3-9-23-14/h3-9H,10-11,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHBCFGTMDKMQZGU-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.13
Rot. Bonds6

About N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 119700833) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID119700833
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCC(C)(CN)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C17H21N3O3/c1-17(2,11-18)16(22)19-10-12-5-7-13(8-6-12)20-15(21)14-4-3-9-23-14/h3-9H,10-11,18H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyHBCFGTMDKMQZGU-UHFFFAOYSA-N
XLogP2.13
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-amino-2-methylpropan-2-yl)phenyl]furan-2-carboxamide
CID 43624586
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700826
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[(2-methylpent-2-enoylamino)methyl]phenyl]furan-2-carboxamide
CID 76867602
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
N-[4-[[[2-(2-tert-butylphenoxy)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 24620662

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide (CID 119700833) is N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide is CC(C)(CN)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is HBCFGTMDKMQZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(2,11-18)16(22)19-10-12-5-7-13(8-6-12)20-15(21)14-4-3-9-23-14/h3-9H,10-11,18H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-amino-2,2-dimethylpropanoyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 119700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).