(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide

C21H27N3O2 — CID 119829842

IUPAC(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H27N3O2/c22-20(13-17-7-3-1-4-8-17)21(25)23-14-19-16-24(11-12-26-19)15-18-9-5-2-6-10-18/h1-10,19-20H,11-16,22H2,(H,23,25)/t19?,20-/m0/s1
InChIKeyRNHVWMRNTYIVLS-ANYOKISRSA-N
MW353.47 g/mol
LogP1.57
Rot. Bonds7

About (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide

(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 119829842) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
PubChem CID119829842
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H27N3O2/c22-20(13-17-7-3-1-4-8-17)21(25)23-14-19-16-24(11-12-26-19)15-18-9-5-2-6-10-18/h1-10,19-20H,11-16,22H2,(H,23,25)/t19?,20-/m0/s1
InChIKeyRNHVWMRNTYIVLS-ANYOKISRSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-amino-N-[(4-benzylmorpholin-2-yl)methyl]butanediamide;dihydrochloride
CID 119957852
2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 119829814
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,2-diphenylacetamide
CID 8504076
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829877
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[(4-benzylmorpholin-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
CID 43008733
N-[(4-benzylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 134057519
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
2-anilino-N-[(4-benzylmorpholin-2-yl)methyl]acetamide;dihydrochloride
CID 119829861

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide (CID 119829842) is (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is RNHVWMRNTYIVLS-ANYOKISRSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-20(13-17-7-3-1-4-8-17)21(25)23-14-19-16-24(11-12-26-19)15-18-9-5-2-6-10-18/h1-10,19-20H,11-16,22H2,(H,23,25)/t19?,20-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide?
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119829842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).