[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid

C16H18N2O4 — CID 18543003

IUPAC[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)O)cc2)o1
InChIInChI=1S/C16H18N2O4/c1-16(2,3)13-9-8-12(22-13)14(19)17-10-4-6-11(7-5-10)18-15(20)21/h4-9,18H,1-3H3,(H,17,19)(H,20,21)
InChIKeyJHPVRFAADJVTIB-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.92
Rot. Bonds3

About [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid

[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid (PubChem CID 18543003) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid
PubChem CID18543003
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)O)cc2)o1
InChIInChI=1S/C16H18N2O4/c1-16(2,3)13-9-8-12(22-13)14(19)17-10-4-6-11(7-5-10)18-15(20)21/h4-9,18H,1-3H3,(H,17,19)(H,20,21)
InChIKeyJHPVRFAADJVTIB-UHFFFAOYSA-N
XLogP3.92
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-5-tert-butylfuran-2-carboxamide
CID 22612940
5-tert-butyl-N-methylfuran-2-carboxamide
CID 59304326
2-[(5-tert-butylfuran-2-carbonyl)amino]benzoic acid
CID 778066
1-(5-tert-butylfuran-2-yl)-2,2-dimethylpropan-1-one
CID 12610611
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
5-methyl-N-[4-(methylcarbamoylamino)phenyl]furan-2-carboxamide
CID 52555638
N-(4-acetamidophenyl)-5-aminofuran-2-carboxamide
CID 82344374
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide
CID 59212377
N-[4-(1-hydroxyethyl)phenyl]-5-methylfuran-2-carboxamide
CID 43508359
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
N-[4-(2,2-dicyanoethenylamino)phenyl]-5-methylfuran-2-carboxamide
CID 168542050

Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid?
The IUPAC name of [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid (CID 18543003) is [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid?
The canonical SMILES for [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid is CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)O)cc2)o1.
What is the InChIKey of [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid?
The InChIKey is JHPVRFAADJVTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-16(2,3)13-9-8-12(22-13)14(19)17-10-4-6-11(7-5-10)18-15(20)21/h4-9,18H,1-3H3,(H,17,19)(H,20,21).
What are the key properties of [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid?
[4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid has a molecular weight of 302.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butylfuran-2-carbonyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 18543003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).