tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate

C17H24F2N2O5 — CID 9262125

IUPACtert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
SMILESCOc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccc1OC(F)F
InChIInChI=1S/C17H24F2N2O5/c1-17(2,3)26-16(23)20-8-7-14(22)21-10-11-5-6-12(25-15(18)19)13(9-11)24-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyQCXFZUNBIYTASJ-UHFFFAOYSA-N
MW374.38 g/mol
LogP2.83
Rot. Bonds8

About tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate

tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate (PubChem CID 9262125) has the molecular formula C17H24F2N2O5 and a molecular weight of 374.38 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
PubChem CID9262125
Molecular FormulaC17H24F2N2O5
Molecular Weight374.38 g/mol
Exact Mass374.17
IUPAC Nametert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
SMILESCOc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccc1OC(F)F
InChIInChI=1S/C17H24F2N2O5/c1-17(2,3)26-16(23)20-8-7-14(22)21-10-11-5-6-12(25-15(18)19)13(9-11)24-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyQCXFZUNBIYTASJ-UHFFFAOYSA-N
XLogP2.83
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 31552261
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
tert-butyl N-[3-[4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920582
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(2,4-dimethylphenyl)propanamide
CID 36937319
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
tert-butyl N-[3-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]anilino]-3-oxopropyl]carbamate
CID 108919920
tert-butyl N-[3-[[3-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921357
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
2-[4-(difluoromethoxy)phenyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 51200356
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3-methylphenoxy)propanamide
CID 9261506
4-(2-bromophenoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]butanamide
CID 55741890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate (CID 9262125) is tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate is COc1cc(CNC(=O)CCNC(=O)OC(C)(C)C)ccc1OC(F)F.
What is the InChIKey of tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
The InChIKey is QCXFZUNBIYTASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O5/c1-17(2,3)26-16(23)20-8-7-14(22)21-10-11-5-6-12(25-15(18)19)13(9-11)24-4/h5-6,9,15H,7-8,10H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate?
tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate has a molecular weight of 374.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate is sourced from PubChem (CID 9262125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).