N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide

C18H29N3O4S — CID 96542266

IUPACN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H29N3O4S/c1-4-16(19-18(22)14-20(2)26(3,23)24)17-13-21(10-11-25-17)12-15-8-6-5-7-9-15/h5-9,16-17H,4,10-14H2,1-3H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyANMLMFXWEZAIHA-SJORKVTESA-N
MW383.51 g/mol
LogP0.67
Rot. Bonds8

About N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 96542266) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID96542266
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C18H29N3O4S/c1-4-16(19-18(22)14-20(2)26(3,23)24)17-13-21(10-11-25-17)12-15-8-6-5-7-9-15/h5-9,16-17H,4,10-14H2,1-3H3,(H,19,22)/t16-,17+/m1/s1
InChIKeyANMLMFXWEZAIHA-SJORKVTESA-N
XLogP0.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 96542266) is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide is CC[C@@H](NC(=O)CN(C)S(C)(=O)=O)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is ANMLMFXWEZAIHA-SJORKVTESA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-16(19-18(22)14-20(2)26(3,23)24)17-13-21(10-11-25-17)12-15-8-6-5-7-9-15/h5-9,16-17H,4,10-14H2,1-3H3,(H,19,22)/t16-,17+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 383.51 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 96542266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).