N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

C21H30N2O2 — CID 47027087

IUPACN-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)CC(C)O1
InChIInChI=1S/C21H30N2O2/c1-14-11-23(12-15(2)25-14)13-16-3-5-19(6-4-16)21(24)22-20(17-7-8-17)18-9-10-18/h3-6,14-15,17-18,20H,7-13H2,1-2H3,(H,22,24)
InChIKeyLLVAVKZDBOZQLL-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.21
Rot. Bonds6

About N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide

N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (PubChem CID 47027087) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
PubChem CID47027087
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
SMILESCC1CN(Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)CC(C)O1
InChIInChI=1S/C21H30N2O2/c1-14-11-23(12-15(2)25-14)13-16-3-5-19(6-4-16)21(24)22-20(17-7-8-17)18-9-10-18/h3-6,14-15,17-18,20H,7-13H2,1-2H3,(H,22,24)
InChIKeyLLVAVKZDBOZQLL-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylbutanoic acid
CID 124682570
(2S)-2-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 124627933
(2S)-2-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-2-phenylacetic acid
CID 124690072
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
(2S,3S)-2-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]amino]-3-methylpentanoic acid
CID 124684005
N-(1-amino-4-methylpentan-2-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119586982
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-propan-2-yloxybenzamide
CID 46449419
N-(2-amino-2-phenylethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119528441
methyl 3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoyl]amino]-3-phenylpropanoate
CID 46483772
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 100844657
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide (CID 47027087) is N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is CC1CN(Cc2ccc(C(=O)NC(C3CC3)C3CC3)cc2)CC(C)O1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
The InChIKey is LLVAVKZDBOZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14-11-23(12-15(2)25-14)13-16-3-5-19(6-4-16)21(24)22-20(17-7-8-17)18-9-10-18/h3-6,14-15,17-18,20H,7-13H2,1-2H3,(H,22,24).
What are the key properties of N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide?
N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide has a molecular weight of 342.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide is sourced from PubChem (CID 47027087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).