benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid

C17H25NO4 — CID 163373377

IUPACbenzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
SMILESCC(CC1CCC1)N(C)C(=O)OCc1ccccc1.O=CO
InChIInChI=1S/C16H23NO2.CH2O2/c1-13(11-14-9-6-10-14)17(2)16(18)19-12-15-7-4-3-5-8-15;2-1-3/h3-5,7-8,13-14H,6,9-12H2,1-2H3;1H,(H,2,3)
InChIKeyHCJOFGCORZCGSB-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.53
Rot. Bonds5

About benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid

benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid (PubChem CID 163373377) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid.

Molecular Properties

Compound Namebenzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
PubChem CID163373377
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Namebenzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid
SMILESCC(CC1CCC1)N(C)C(=O)OCc1ccccc1.O=CO
InChIInChI=1S/C16H23NO2.CH2O2/c1-13(11-14-9-6-10-14)17(2)16(18)19-12-15-7-4-3-5-8-15;2-1-3/h3-5,7-8,13-14H,6,9-12H2,1-2H3;1H,(H,2,3)
InChIKeyHCJOFGCORZCGSB-UHFFFAOYSA-N
XLogP3.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.53
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

benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl N-methyl-N-(1-methylsulfanylpropan-2-yl)carbamate
CID 67311271
benzyl N-methyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]carbamate
CID 22883911
(2S,3R)-3-methyl-2-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 14730227
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-methyl-N-(7-oxo-5-phenylheptan-2-yl)carbamate
CID 89147971
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl N-methyl-N-[4-(2-oxoethyl)cyclohexyl]carbamate
CID 86589723
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 2769576
benzyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 91599052
benzyl N-(3-aminocyclohexyl)-N-methylcarbamate
CID 138114146

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid?
The IUPAC name of benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid (CID 163373377) is benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid.
What is the SMILES notation for benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid?
The canonical SMILES for benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid is CC(CC1CCC1)N(C)C(=O)OCc1ccccc1.O=CO.
What is the InChIKey of benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid?
The InChIKey is HCJOFGCORZCGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.CH2O2/c1-13(11-14-9-6-10-14)17(2)16(18)19-12-15-7-4-3-5-8-15;2-1-3/h3-5,7-8,13-14H,6,9-12H2,1-2H3;1H,(H,2,3).
What are the key properties of benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid?
benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid has a molecular weight of 307.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyclobutylpropan-2-yl)-N-methylcarbamate;formic acid is sourced from PubChem (CID 163373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).