1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate

C12H15ClN2O4 — CID 647215

IUPAC1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate
SMILESCOC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-8(7-14-11(16)18-2)19-12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAHRJYWOBJKKPCZ-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.63
Rot. Bonds4

About 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate

1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate (PubChem CID 647215) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate
PubChem CID647215
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate
SMILESCOC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H15ClN2O4/c1-8(7-14-11(16)18-2)19-12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyAHRJYWOBJKKPCZ-UHFFFAOYSA-N
XLogP2.63
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate?
The IUPAC name of 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate (CID 647215) is 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate is COC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate?
The InChIKey is AHRJYWOBJKKPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-8(7-14-11(16)18-2)19-12(17)15-10-5-3-4-9(13)6-10/h3-6,8H,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate?
1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate has a molecular weight of 286.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylamino)propan-2-yl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 647215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).