3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate

C15H20F2N2O4 — CID 69129681

IUPAC3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate
SMILESCC(C)COC(=O)NCCCOC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4/c1-10(2)9-23-14(20)18-6-3-7-22-15(21)19-11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCDNASXASSFUFGB-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.29
Rot. Bonds7

About 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate

3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate (PubChem CID 69129681) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate.

Molecular Properties

Compound Name3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate
PubChem CID69129681
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate
SMILESCC(C)COC(=O)NCCCOC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H20F2N2O4/c1-10(2)9-23-14(20)18-6-3-7-22-15(21)19-11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCDNASXASSFUFGB-UHFFFAOYSA-N
XLogP3.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-methylpropyl N-[3-(2-cyanoacetyl)-4-fluorophenyl]carbamate
CID 134439150
2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
butyl N-(3-amino-4-fluorophenyl)carbamate
CID 150760184
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
propyl N-(4-fluoro-3-methylphenyl)carbamate
CID 59576509
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate?
The IUPAC name of 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate (CID 69129681) is 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate.
What is the SMILES notation for 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate?
The canonical SMILES for 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate is CC(C)COC(=O)NCCCOC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate?
The InChIKey is CDNASXASSFUFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c1-10(2)9-23-14(20)18-6-3-7-22-15(21)19-11-4-5-12(16)13(17)8-11/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate?
3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate has a molecular weight of 330.33 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxycarbonylamino)propyl N-(3,4-difluorophenyl)carbamate is sourced from PubChem (CID 69129681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).