tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

C17H32N2O3 — CID 167722513

IUPACtert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)14(18-16(21)22-17(3,4)5)15(20)19(6)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,18,21)
InChIKeyPCBFCXBOWLHSPQ-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 167722513) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID167722513
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C17H32N2O3/c1-12(2)14(18-16(21)22-17(3,4)5)15(20)19(6)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,18,21)
InChIKeyPCBFCXBOWLHSPQ-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 24688604
N-cyclohexyl-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 87023576
tert-butyl N-[1-(cyclobutylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 62414196
tert-butyl N-[(2S)-1-[4-(dimethylamino)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 54108523
tert-butyl N-[4-amino-3-[cycloheptyl(methyl)amino]butan-2-yl]carbamate
CID 102729640
tert-butyl N-[(2S)-1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110677909
tert-butyl N-[1-[cyclobutyl-[2-(cyclohexylamino)-1-(2,5-dimethylphenyl)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18040708
tert-butyl N-[1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 18040449
tert-butyl N-[1-(dipropylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 43184928
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
tert-butyl N-[(1R,2R)-1-cyclohexyl-1-hydroxy-3-methylbutan-2-yl]carbamate
CID 102037529
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate (CID 167722513) is tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OC(C)(C)C)C(=O)N(C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is PCBFCXBOWLHSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(2)14(18-16(21)22-17(3,4)5)15(20)19(6)13-10-8-7-9-11-13/h12-14H,7-11H2,1-6H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[cyclohexyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 167722513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).