tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid

C14H20N2O4 — CID 118953222

IUPACtert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
SMILESCOc1ccc(NC(=O)CN(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16(13(18)19)9-12(17)15-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyBICWBMXFWCDHQR-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid

tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid (PubChem CID 118953222) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
PubChem CID118953222
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nametert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
SMILESCOc1ccc(NC(=O)CN(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16(13(18)19)9-12(17)15-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyBICWBMXFWCDHQR-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-N-(4-methoxyphenyl)acetamide
CID 115638080
N-(4-methoxyphenyl)-2-[methyl(propyl)amino]acetamide;propane
CID 145342078
5-(4-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 3345535
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-[acetyl(tert-butyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113166215
2-(tert-butylamino)-N-(4-methoxyphenyl)acetamide
CID 27149891
2-[bis(2-methoxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 33483504
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
2-[acetyl(tert-butyl)amino]-N-(4-methylphenyl)acetamide
CID 113166147

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid (CID 118953222) is tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid is COc1ccc(NC(=O)CN(C(=O)O)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid?
The InChIKey is BICWBMXFWCDHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)16(13(18)19)9-12(17)15-10-5-7-11(20-4)8-6-10/h5-8H,9H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid?
tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid has a molecular weight of 280.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid is sourced from PubChem (CID 118953222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).