(4-benzylmorpholin-3-yl)methylcarbamic acid

C13H18N2O3 — CID 21104643

IUPAC(4-benzylmorpholin-3-yl)methylcarbamic acid
SMILESO=C(O)NCC1COCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-18-7-6-15(12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeyQUOJHAOAGLZIQU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds4

About (4-benzylmorpholin-3-yl)methylcarbamic acid

(4-benzylmorpholin-3-yl)methylcarbamic acid (PubChem CID 21104643) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-benzylmorpholin-3-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-benzylmorpholin-3-yl)methylcarbamic acid
PubChem CID21104643
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4-benzylmorpholin-3-yl)methylcarbamic acid
SMILESO=C(O)NCC1COCCN1Cc1ccccc1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-18-7-6-15(12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeyQUOJHAOAGLZIQU-UHFFFAOYSA-N
XLogP1.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylmorpholin-3-yl)ethyl]acetamide
CID 10264698
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
3-[4-[(4-methylphenyl)methyl]morpholin-3-yl]propanoic acid
CID 117009392
N-[(1-benzylpiperidin-2-yl)methyl]morpholine-3-carboxamide
CID 119861728
3-[[3-(methylaminomethyl)morpholin-4-yl]methyl]phenol
CID 83099978
N-ethyl-2-[4-[(3-phenoxyphenyl)methyl]morpholin-3-yl]acetamide
CID 56897356
N-[[4-[(4-ethylphenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83100237
1-[4-[(3,5-dimethylphenyl)methyl]morpholin-3-yl]-N-methylmethanamine
CID 83100798

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-3-yl)methylcarbamic acid?
The IUPAC name of (4-benzylmorpholin-3-yl)methylcarbamic acid (CID 21104643) is (4-benzylmorpholin-3-yl)methylcarbamic acid.
What is the SMILES notation for (4-benzylmorpholin-3-yl)methylcarbamic acid?
The canonical SMILES for (4-benzylmorpholin-3-yl)methylcarbamic acid is O=C(O)NCC1COCCN1Cc1ccccc1.
What is the InChIKey of (4-benzylmorpholin-3-yl)methylcarbamic acid?
The InChIKey is QUOJHAOAGLZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-18-7-6-15(12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17).
What are the key properties of (4-benzylmorpholin-3-yl)methylcarbamic acid?
(4-benzylmorpholin-3-yl)methylcarbamic acid has a molecular weight of 250.30 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-3-yl)methylcarbamic acid is sourced from PubChem (CID 21104643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).