tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate

C15H27NO3 — CID 84730029

IUPACtert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)CC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,18)
InChIKeyVFNKUAOPGBSEFG-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.30
Rot. Bonds5

About tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate

tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate (PubChem CID 84730029) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
PubChem CID84730029
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(C=O)CC1CCCCC1
InChIInChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,18)
InChIKeyVFNKUAOPGBSEFG-UHFFFAOYSA-N
XLogP3.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 167726889
2-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 70184619
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
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tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
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tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
tert-butyl N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]carbamate
CID 59382980
tert-butyl N-[(2S)-1-cycloheptyl-3-(methylamino)propan-2-yl]carbamate
CID 68715214
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate (CID 84730029) is tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate is CC(C)(C)OC(=O)NCC(C=O)CC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate?
The InChIKey is VFNKUAOPGBSEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-15(2,3)19-14(18)16-10-13(11-17)9-12-7-5-4-6-8-12/h11-13H,4-10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate?
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate is sourced from PubChem (CID 84730029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).