tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate

C17H26N2O4 — CID 70852333

IUPACtert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(=O)Nc1cc(CNC(=O)OC(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)22-15-8-7-13(9-14(15)19-12(3)20)10-18-16(21)23-17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyPEVMIKBFJUUICU-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate

tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate (PubChem CID 70852333) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate
PubChem CID70852333
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Nametert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate
SMILESCC(=O)Nc1cc(CNC(=O)OC(C)(C)C)ccc1OC(C)C
InChIInChI=1S/C17H26N2O4/c1-11(2)22-15-8-7-13(9-14(15)19-12(3)20)10-18-16(21)23-17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21)(H,19,20)
InChIKeyPEVMIKBFJUUICU-UHFFFAOYSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]carbamate
CID 102538086
tert-butyl N-[5-[[(2-chloroacetyl)amino]methyl]-2-methoxyphenyl]carbamate
CID 166419727
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
N-[5-[(tert-butylcarbamoylamino)methyl]-2-methoxyphenyl]acetamide
CID 110775274
4-methoxy-3-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoic acid
CID 163196860
2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methylamino]propanoic acid
CID 107244230
tert-butyl N-[[4-[(3-methylbutylamino)methyl]phenyl]methyl]carbamate
CID 107244304
tert-butyl N-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]methyl]carbamate
CID 58495494
tert-butyl N-[(4-methoxy-3-nitrophenyl)methyl]carbamate
CID 22981317

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate (CID 70852333) is tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate is CC(=O)Nc1cc(CNC(=O)OC(C)(C)C)ccc1OC(C)C.
What is the InChIKey of tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate?
The InChIKey is PEVMIKBFJUUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(2)22-15-8-7-13(9-14(15)19-12(3)20)10-18-16(21)23-17(4,5)6/h7-9,11H,10H2,1-6H3,(H,18,21)(H,19,20).
What are the key properties of tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate?
tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate has a molecular weight of 322.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-acetamido-4-propan-2-yloxyphenyl)methyl]carbamate is sourced from PubChem (CID 70852333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).