N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide

C15H18N2O2 — CID 22612940

IUPACN-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)o1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyVSOGMEIKIOQRSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds2

About N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide

N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide (PubChem CID 22612940) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
PubChem CID22612940
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)o1
InChIInChI=1S/C15H18N2O2/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,16H2,1-3H3,(H,17,18)
InChIKeyVSOGMEIKIOQRSV-UHFFFAOYSA-N
XLogP3.41
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid
CID 18543003
5-tert-butyl-N-methylfuran-2-carboxamide
CID 59304326
N-(4-aminophenyl)-5-(difluoromethyl)furan-2-carboxamide
CID 22612964
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
4-aminobenzamide;5-tert-butylfuran-2-carboxylic acid
CID 21188202
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
2-[(5-tert-butylfuran-2-carbonyl)amino]benzoic acid
CID 778066
1-(5-tert-butylfuran-2-yl)-2,2-dimethylpropan-1-one
CID 12610611
N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
N-(4-aminophenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 100829850
methyl 4-[(5-aminofuran-2-carbonyl)amino]benzoate
CID 82344340
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide (CID 22612940) is N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(N)cc2)o1.
What is the InChIKey of N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide?
The InChIKey is VSOGMEIKIOQRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)13-9-8-12(19-13)14(18)17-11-6-4-10(16)5-7-11/h4-9H,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide?
N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide is sourced from PubChem (CID 22612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).