(4-benzylmorpholin-2-yl)methylcarbamic acid

C13H18N2O3 — CID 21104645

IUPAC(4-benzylmorpholin-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-15(6-7-18-12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeyZDEJAQFPXDFTHE-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds4

About (4-benzylmorpholin-2-yl)methylcarbamic acid

(4-benzylmorpholin-2-yl)methylcarbamic acid (PubChem CID 21104645) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)methylcarbamic acid
PubChem CID21104645
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(4-benzylmorpholin-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-15(6-7-18-12)9-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,16,17)
InChIKeyZDEJAQFPXDFTHE-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-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 43064056
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)methylcarbamic acid?
The IUPAC name of (4-benzylmorpholin-2-yl)methylcarbamic acid (CID 21104645) is (4-benzylmorpholin-2-yl)methylcarbamic acid.
What is the SMILES notation for (4-benzylmorpholin-2-yl)methylcarbamic acid?
The canonical SMILES for (4-benzylmorpholin-2-yl)methylcarbamic acid is O=C(O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (4-benzylmorpholin-2-yl)methylcarbamic acid?
The InChIKey is ZDEJAQFPXDFTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)14-8-12-10-15(6-7-18-12)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-2-yl)methylcarbamic acid?
(4-benzylmorpholin-2-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-2-yl)methylcarbamic acid is sourced from PubChem (CID 21104645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).