(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

C18H27N3O2 — CID 124732140

IUPAC(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C18H27N3O2/c1-14-10-21(11-15-6-4-3-5-7-15)12-16(14)19-18(22)17-13-20(2)8-9-23-17/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyJJMNFYLBPBRASN-OIISXLGYSA-N
MW317.43 g/mol
LogP0.95
Rot. Bonds4

About (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide

(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (PubChem CID 124732140) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
PubChem CID124732140
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1
InChIInChI=1S/C18H27N3O2/c1-14-10-21(11-15-6-4-3-5-7-15)12-16(14)19-18(22)17-13-20(2)8-9-23-17/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1
InChIKeyJJMNFYLBPBRASN-OIISXLGYSA-N
XLogP0.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 124829531
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129446372
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429507
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
cis-(1S,3R)-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066110
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
CID 97041956
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]-1,4-dioxane-2-carboxamide
CID 119038044
4-[[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122010099

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide (CID 124732140) is (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1.
What is the InChIKey of (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
The InChIKey is JJMNFYLBPBRASN-OIISXLGYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-10-21(11-15-6-4-3-5-7-15)12-16(14)19-18(22)17-13-20(2)8-9-23-17/h3-7,14,16-17H,8-13H2,1-2H3,(H,19,22)/t14-,16-,17+/m1/s1.
What are the key properties of (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide?
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide is sourced from PubChem (CID 124732140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).