propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate

C13H24N2O5 — CID 58472992

IUPACpropan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate
SMILESCOC(=O)NCC(NC(=O)OC(C)C)C(=O)CC(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)6-11(16)10(7-14-12(17)19-5)15-13(18)20-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyLJPYOCBATNEXTI-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.46
Rot. Bonds7

About propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate

propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate (PubChem CID 58472992) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate
PubChem CID58472992
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Namepropan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate
SMILESCOC(=O)NCC(NC(=O)OC(C)C)C(=O)CC(C)C
InChIInChI=1S/C13H24N2O5/c1-8(2)6-11(16)10(7-14-12(17)19-5)15-13(18)20-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,17)(H,15,18)
InChIKeyLJPYOCBATNEXTI-UHFFFAOYSA-N
XLogP1.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(2-methylpropyl)butanamide;propan-2-yl N-(2-methylpropyl)carbamate
CID 162127345
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
methyl (2S)-3-amino-2-(propan-2-yloxycarbonylamino)propanoate
CID 87499575
methyl N-(2-amino-4-methylpentyl)carbamate
CID 107158940
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
propan-2-yl (2R)-2-(methoxycarbonylamino)-3-[[(2R)-2-(methoxycarbonylamino)-3-oxo-3-propan-2-yloxypropyl]disulfanyl]propanoate
CID 90381122
2-methoxy-3-(propan-2-yloxycarbonylamino)propanoic acid
CID 106108243
propan-2-yl N-[1-[1-(4-methoxyphenoxy)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 141411372
methyl N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamate
CID 116657710
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
methyl 2-methyl-3-(3-methylbutanoylamino)propanoate
CID 59983678
propan-2-yl N-(2-methyl-3-methylsulfanylpropyl)carbamate
CID 116656155

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate (CID 58472992) is propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate is COC(=O)NCC(NC(=O)OC(C)C)C(=O)CC(C)C.
What is the InChIKey of propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate?
The InChIKey is LJPYOCBATNEXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)6-11(16)10(7-14-12(17)19-5)15-13(18)20-9(3)4/h8-10H,6-7H2,1-5H3,(H,14,17)(H,15,18).
What are the key properties of propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate?
propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate has a molecular weight of 288.34 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(methoxycarbonylamino)-5-methyl-3-oxohexan-2-yl]carbamate is sourced from PubChem (CID 58472992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).