tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate

C16H25N3O5 — CID 75437857

IUPACtert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate
SMILESCOc1ccccc1NC(=O)NOCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O5/c1-11(17-15(21)24-16(2,3)4)10-23-19-14(20)18-12-8-6-7-9-13(12)22-5/h6-9,11H,10H2,1-5H3,(H,17,21)(H2,18,19,20)
InChIKeyZTDNWHWWOLRCNM-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.66
Rot. Bonds6

About tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate

tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate (PubChem CID 75437857) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate
PubChem CID75437857
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Nametert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate
SMILESCOc1ccccc1NC(=O)NOCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H25N3O5/c1-11(17-15(21)24-16(2,3)4)10-23-19-14(20)18-12-8-6-7-9-13(12)22-5/h6-9,11H,10H2,1-5H3,(H,17,21)(H2,18,19,20)
InChIKeyZTDNWHWWOLRCNM-UHFFFAOYSA-N
XLogP2.66
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-methoxyanilino)-2-oxoethoxy]carbamate
CID 172820923
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
1-(2-methoxyphenyl)-3-pent-4-yn-2-ylurea
CID 115662879
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
[2-(2-methoxyanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734254
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 90091076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate (CID 75437857) is tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate is COc1ccccc1NC(=O)NOCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate?
The InChIKey is ZTDNWHWWOLRCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O5/c1-11(17-15(21)24-16(2,3)4)10-23-19-14(20)18-12-8-6-7-9-13(12)22-5/h6-9,11H,10H2,1-5H3,(H,17,21)(H2,18,19,20).
What are the key properties of tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate?
tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate has a molecular weight of 339.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methoxyphenyl)carbamoylamino]oxypropan-2-yl]carbamate is sourced from PubChem (CID 75437857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).