tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate

C14H25NO3 — CID 165464943

IUPACtert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
SMILESCCCC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H25NO3/c1-6-7-12(16)10(2)15(11-8-9-11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyCORSCXCWYYZGRW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.14
Rot. Bonds5

About tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate

tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate (PubChem CID 165464943) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
PubChem CID165464943
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate
SMILESCCCC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C14H25NO3/c1-6-7-12(16)10(2)15(11-8-9-11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyCORSCXCWYYZGRW-UHFFFAOYSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methoxy-3-methylbutanoic acid
CID 116502100
tert-butyl N-cyclopropyl-N-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]carbamate
CID 69406259
2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 174593335
N-cyclohexylcyclohexanamine;2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 67708321
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl 2-[cyclopropyl(ethyl)amino]propanoate
CID 64687370
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566034
tert-butyl N-cyclohexyl-N-[(2R)-1-oxopropan-2-yl]carbamate
CID 140993360
tert-butyl N-cyclopropyl-N-(2,2,2-trifluoroethyl)carbamate
CID 63789055
(2S)-2-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid;(2S)-3-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 161176078
tert-butyl N-hydroxy-N-(3-oxopentan-2-yl)carbamate
CID 87963797
ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139554815

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate (CID 165464943) is tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate is CCCC(=O)C(C)N(C(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate?
The InChIKey is CORSCXCWYYZGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-6-7-12(16)10(2)15(11-8-9-11)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate?
tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate has a molecular weight of 255.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-(3-oxohexan-2-yl)carbamate is sourced from PubChem (CID 165464943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).