tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate

C18H27NO3 — CID 143215309

IUPACtert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
SMILESCC(CCCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-14(16(20)15-11-7-6-8-12-15)10-9-13-19(5)17(21)22-18(2,3)4/h6-8,11-12,14H,9-10,13H2,1-5H3
InChIKeyIVILMTNNFLHHGP-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.15
Rot. Bonds6

About tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate

tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate (PubChem CID 143215309) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
PubChem CID143215309
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate
SMILESCC(CCCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C18H27NO3/c1-14(16(20)15-11-7-6-8-12-15)10-9-13-19(5)17(21)22-18(2,3)4/h6-8,11-12,14H,9-10,13H2,1-5H3
InChIKeyIVILMTNNFLHHGP-UHFFFAOYSA-N
XLogP4.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl benzoate
CID 137320760
tert-butyl N-methyl-N-[4-(2-sulfanylphenyl)butyl]carbamate
CID 91391747
3-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]benzoic acid
CID 166174882
5-hydroxy-2-methyl-1-phenylpentan-1-one
CID 67106278
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
tert-butyl N-[3-[1-(2-chlorophenyl)ethylamino]propyl]-N-methylcarbamate
CID 107242245
(2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[methyl(phenylmethoxycarbonyl)amino]pentanoic acid
CID 90122937
tert-butyl 2-[[3-(aminomethyl)phenyl]methyl]-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 155381078
tert-butyl N-methyl-N-[2-[(2-methyl-3-phenylsulfanylpropanoyl)amino]ethyl]carbamate
CID 86935295
5-ethoxy-2-methyl-1-phenylpentan-1-one
CID 104845070
2-methyl-1,4-diphenylbutan-1-one
CID 11413736

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate (CID 143215309) is tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate is CC(CCCN(C)C(=O)OC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate?
The InChIKey is IVILMTNNFLHHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14(16(20)15-11-7-6-8-12-15)10-9-13-19(5)17(21)22-18(2,3)4/h6-8,11-12,14H,9-10,13H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate?
tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate has a molecular weight of 305.42 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(4-methyl-5-oxo-5-phenylpentyl)carbamate is sourced from PubChem (CID 143215309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).