(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid

C17H26N2O3 — CID 68744177

IUPAC(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)13-15-12-18(9-10-22-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyOMYJZMLPNRQWTJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.67
Rot. Bonds4

About (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid

(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid (PubChem CID 68744177) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid
PubChem CID68744177
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CC1CN(Cc2ccccc2)CCO1)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)13-15-12-18(9-10-22-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,21)
InChIKeyOMYJZMLPNRQWTJ-UHFFFAOYSA-N
XLogP2.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methylmorpholine-4-carboxamide
CID 669645
Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
(4-Benzyl-3-methylmorpholin-3-yl)methanol
CID 22342862
isobutyl N-benzyl-N-[3-[benzyl(isobutoxycarbonyl)amino]-2-hydroxy-propyl]carbamate
CID 469842
tert-butyl N-benzyl-N-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 10648052
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
US10030020, Example 63
CID 132114831
(1,4-dibenzylpiperazin-2-yl)methyl N,N-diethylcarbamate
CID 11741417
(6S)-6-[[benzyl-[(2-methylphenyl)methyl]amino]methyl]-3-ethyl-1,3-oxazinan-2-one
CID 24752753
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-tert-butyl-oxazolidin-2-one
CID 76072442
Ammonium, benzyldiethyl(2-hydroxyethyl)-, bromide, dibutylcarbamate
CID 57836
Choline, iodide, dibenzylcarbamate
CID 115906

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid?
The IUPAC name of (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid (CID 68744177) is (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid?
The canonical SMILES for (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid is CC(C)(C)N(CC1CN(Cc2ccccc2)CCO1)C(=O)O.
What is the InChIKey of (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid?
The InChIKey is OMYJZMLPNRQWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)19(16(20)21)13-15-12-18(9-10-22-15)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,20,21).
What are the key properties of (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid?
(4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid has a molecular weight of 306.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)methyl-tert-butylcarbamic acid is sourced from PubChem (CID 68744177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).