tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate

C12H24N2O3 — CID 10824212

IUPACtert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
SMILESCCCCNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-7-8-13-10(15)9(2)14-11(16)17-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyKPAZHKSDTYCANB-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.82
Rot. Bonds5

About tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate (PubChem CID 10824212) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
PubChem CID10824212
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nametert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate
SMILESCCCCNC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-7-8-13-10(15)9(2)14-11(16)17-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyKPAZHKSDTYCANB-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]carbamate
CID 87458449
tert-butyl N-[(2S)-1-[3-[4-[3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propylamino]butylamino]propylamino]-1-oxopropan-2-yl]carbamate
CID 11006083
4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]butanoic acid
CID 59775131
tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 89203370
ethyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 10913206
tert-butyl N-[(2R)-1-oxo-1-[2-(2-propoxyethoxy)ethylamino]propan-2-yl]carbamate
CID 59067465
tert-butyl N-[1-(heptan-2-ylamino)-1-oxopropan-2-yl]carbamate
CID 60730983
methyl 12-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]dodecanoate
CID 11025778
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[1-(2,2-dimethylpropylamino)-1-oxopropan-2-yl]carbamate
CID 126708064
ethyl 2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 14236082
ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]acetate
CID 14236081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate (CID 10824212) is tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate is CCCCNC(=O)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate?
The InChIKey is KPAZHKSDTYCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-7-8-13-10(15)9(2)14-11(16)17-12(3,4)5/h9H,6-8H2,1-5H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate has a molecular weight of 244.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(butylamino)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10824212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).