2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide

C21H29N3O2 — CID 29341437

IUPAC2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1cc(C)c(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(C)c1
InChIInChI=1S/C21H29N3O2/c1-15-12-16(2)20(17(3)13-15)21(25)22-14-19(18-6-5-7-23(18)4)24-8-10-26-11-9-24/h5-7,12-13,19H,8-11,14H2,1-4H3,(H,22,25)/t19-/m1/s1
InChIKeyVBXFRNQVAYIGFA-LJQANCHMSA-N
MW355.48 g/mol
LogP2.75
Rot. Bonds5

About 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide

2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 29341437) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID29341437
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1cc(C)c(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(C)c1
InChIInChI=1S/C21H29N3O2/c1-15-12-16(2)20(17(3)13-15)21(25)22-14-19(18-6-5-7-23(18)4)24-8-10-26-11-9-24/h5-7,12-13,19H,8-11,14H2,1-4H3,(H,22,25)/t19-/m1/s1
InChIKeyVBXFRNQVAYIGFA-LJQANCHMSA-N
XLogP2.75
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341374
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343723
N'-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29343975
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
2-(2-methoxyphenoxy)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 29341504
N'-(2,4-dimethoxyphenyl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343773
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343782
2-chloro-4-fluoro-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 42217552
N-(2-morpholin-4-yl-2-phenylethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 46569876
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,4,6-trimethylbenzamide
CID 112810457
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-ethylbenzamide
CID 42218388
N'-(4-methylphenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344036

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 29341437) is 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide is Cc1cc(C)c(C(=O)NC[C@H](c2cccn2C)N2CCOCC2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is VBXFRNQVAYIGFA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-12-16(2)20(17(3)13-15)21(25)22-14-19(18-6-5-7-23(18)4)24-8-10-26-11-9-24/h5-7,12-13,19H,8-11,14H2,1-4H3,(H,22,25)/t19-/m1/s1.
What are the key properties of 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 355.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 29341437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).