methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate

C16H24N2O4 — CID 3086315

IUPACmethyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OC)c1
InChIInChI=1S/C16H24N2O4/c1-15(2,17-13(19)21-5)11-8-7-9-12(10-11)16(3,4)18-14(20)22-6/h7-10H,1-6H3,(H,17,19)(H,18,20)
InChIKeySDGWUDZXWBPSGI-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds4

About methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate

methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate (PubChem CID 3086315) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate
PubChem CID3086315
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namemethyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate
SMILESCOC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OC)c1
InChIInChI=1S/C16H24N2O4/c1-15(2,17-13(19)21-5)11-8-7-9-12(10-11)16(3,4)18-14(20)22-6/h7-10H,1-6H3,(H,17,19)(H,18,20)
InChIKeySDGWUDZXWBPSGI-UHFFFAOYSA-N
XLogP2.87
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate?
The IUPAC name of methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate (CID 3086315) is methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate.
What is the SMILES notation for methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate?
The canonical SMILES for methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate is COC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)OC)c1.
What is the InChIKey of methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate?
The InChIKey is SDGWUDZXWBPSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-15(2,17-13(19)21-5)11-8-7-9-12(10-11)16(3,4)18-14(20)22-6/h7-10H,1-6H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate?
methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate has a molecular weight of 308.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-[2-(methoxycarbonylamino)propan-2-yl]phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 3086315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).