methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate

C16H24N2O3 — CID 138047168

IUPACmethyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(NC(C)C2(O)CCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(16(20)9-4-10-16)17-14-7-5-13(6-8-14)11-18(2)15(19)21-3/h5-8,12,17,20H,4,9-11H2,1-3H3
InChIKeyPKACYCZXZLDLFE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.60
Rot. Bonds5

About methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate

methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate (PubChem CID 138047168) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
PubChem CID138047168
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc(NC(C)C2(O)CCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(16(20)9-4-10-16)17-14-7-5-13(6-8-14)11-18(2)15(19)21-3/h5-8,12,17,20H,4,9-11H2,1-3H3
InChIKeyPKACYCZXZLDLFE-UHFFFAOYSA-N
XLogP2.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 115190583
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
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methyl N-methyl-N-[(4-propylphenyl)methyl]carbamate
CID 115190601
methyl 3-methyl-2-[4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]butanoate
CID 177063985
N,N-dimethyl-2-[4-(propan-2-ylamino)phenyl]acetamide
CID 43720790
1-amino-N-[(4-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 54869116
N-[(1-hydroxycyclopentyl)methyl]-4-[[methyl(2-methylpropanoyl)amino]methyl]benzamide
CID 111459565
1-[methyl-[(4-methylphenyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095554
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-[1-(aminomethyl)cyclobutyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 81172310
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179

Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate (CID 138047168) is methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate is COC(=O)N(C)Cc1ccc(NC(C)C2(O)CCC2)cc1.
What is the InChIKey of methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is PKACYCZXZLDLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(16(20)9-4-10-16)17-14-7-5-13(6-8-14)11-18(2)15(19)21-3/h5-8,12,17,20H,4,9-11H2,1-3H3.
What are the key properties of methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate?
methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[1-(1-hydroxycyclobutyl)ethylamino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 138047168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).