N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide

C17H26N2O2 — CID 134057519

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-17(20)18-11-16-13-19(8-9-21-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)
InChIKeyRFBYARLPQFIZMA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds6

About N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide

N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide (PubChem CID 134057519) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
PubChem CID134057519
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H26N2O2/c1-14(2)10-17(20)18-11-16-13-19(8-9-21-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,18,20)
InChIKeyRFBYARLPQFIZMA-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
CID 119829842
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]acetamide
CID 51934849
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide (CID 134057519) is N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide is CC(C)CC(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide?
The InChIKey is RFBYARLPQFIZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)10-17(20)18-11-16-13-19(8-9-21-16)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide?
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide is sourced from PubChem (CID 134057519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).