N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide

C19H25N3O2 — CID 86803826

IUPACN,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CN2CCOCC2c2cccn2C)c1
InChIInChI=1S/C19H25N3O2/c1-20(2)19(23)16-7-4-6-15(12-16)13-22-10-11-24-14-18(22)17-8-5-9-21(17)3/h4-9,12,18H,10-11,13-14H2,1-3H3
InChIKeyRLTBUMLQDLOYJZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide

N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide (PubChem CID 86803826) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
PubChem CID86803826
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CN2CCOCC2c2cccn2C)c1
InChIInChI=1S/C19H25N3O2/c1-20(2)19(23)16-7-4-6-15(12-16)13-22-10-11-24-14-18(22)17-8-5-9-21(17)3/h4-9,12,18H,10-11,13-14H2,1-3H3
InChIKeyRLTBUMLQDLOYJZ-UHFFFAOYSA-N
XLogP2.30
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide (CID 86803826) is N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide is CN(C)C(=O)c1cccc(CN2CCOCC2c2cccn2C)c1.
What is the InChIKey of N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide?
The InChIKey is RLTBUMLQDLOYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-20(2)19(23)16-7-4-6-15(12-16)13-22-10-11-24-14-18(22)17-8-5-9-21(17)3/h4-9,12,18H,10-11,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide?
N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]benzamide is sourced from PubChem (CID 86803826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).