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

C20H31N3O2 — CID 119852898

IUPAC3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)C2CCCC(N)C2)CC(C)O1
InChIInChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-4,6,9,14-16,18H,5,7-8,10-13,21H2,1-2H3,(H,22,24)
InChIKeyRVXGSCYGFSCJOM-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.75
Rot. Bonds4

About 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide

3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 119852898) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
PubChem CID119852898
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide
SMILESCC1CN(Cc2ccccc2NC(=O)C2CCCC(N)C2)CC(C)O1
InChIInChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-4,6,9,14-16,18H,5,7-8,10-13,21H2,1-2H3,(H,22,24)
InChIKeyRVXGSCYGFSCJOM-UHFFFAOYSA-N
XLogP2.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,3R)-3-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 124689832
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
(2S,5R)-5-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]oxolane-2-carboxamide
CID 120798334
(1R,2S,4S)-N-[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 100901111
3-amino-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119845961
3-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870064
3-amino-N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119744216
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide
CID 63042139
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]morpholine-2-carboxamide
CID 119852924
3-amino-N-[2-(dimethylamino)phenyl]cyclohexane-1-carboxamide
CID 63044143
3-amino-N-naphthalen-1-ylcyclohexane-1-carboxamide;hydrochloride
CID 119671192

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide (CID 119852898) is 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide is CC1CN(Cc2ccccc2NC(=O)C2CCCC(N)C2)CC(C)O1.
What is the InChIKey of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is RVXGSCYGFSCJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16/h3-4,6,9,14-16,18H,5,7-8,10-13,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide?
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119852898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).