1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide

C18H27N3O2 — CID 124689810

IUPAC1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)C2(N)CC2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O2/c1-13-10-21(11-14(2)23-13)12-16-6-4-3-5-15(16)9-20-17(22)18(19)7-8-18/h3-6,13-14H,7-12,19H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyVYBCANYKKCXZJF-ZIAGYGMSSA-N
MW317.43 g/mol
LogP1.40
Rot. Bonds5

About 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 124689810) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID124689810
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
SMILESC[C@@H]1CN(Cc2ccccc2CNC(=O)C2(N)CC2)C[C@@H](C)O1
InChIInChI=1S/C18H27N3O2/c1-13-10-21(11-14(2)23-13)12-16-6-4-3-5-15(16)9-20-17(22)18(19)7-8-18/h3-6,13-14H,7-12,19H2,1-2H3,(H,20,22)/t13-,14-/m1/s1
InChIKeyVYBCANYKKCXZJF-ZIAGYGMSSA-N
XLogP1.40
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 125146554
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739127
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739128
(4S)-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124694508
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide (CID 124689810) is 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide is C[C@@H]1CN(Cc2ccccc2CNC(=O)C2(N)CC2)C[C@@H](C)O1.
What is the InChIKey of 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VYBCANYKKCXZJF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-10-21(11-14(2)23-13)12-16-6-4-3-5-15(16)9-20-17(22)18(19)7-8-18/h3-6,13-14H,7-12,19H2,1-2H3,(H,20,22)/t13-,14-/m1/s1.
What are the key properties of 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124689810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).