4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide

C17H27N3O — CID 106620717

IUPAC4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCc1ccc(C(N)=O)c(N(CC(C)C)CC2CCCN2)c1
InChIInChI=1S/C17H27N3O/c1-12(2)10-20(11-14-5-4-8-19-14)16-9-13(3)6-7-15(16)17(18)21/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3,(H2,18,21)
InChIKeyRHXNMISOYOUDDP-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.31
Rot. Bonds6

About 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide

4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106620717) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106620717
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESCc1ccc(C(N)=O)c(N(CC(C)C)CC2CCCN2)c1
InChIInChI=1S/C17H27N3O/c1-12(2)10-20(11-14-5-4-8-19-14)16-9-13(3)6-7-15(16)17(18)21/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3,(H2,18,21)
InChIKeyRHXNMISOYOUDDP-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620604
4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616
2,4-dimethyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611361
4-chloro-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106618868
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
3,6-dichloro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridazin-4-amine
CID 106620751
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyrazine-2-carboxamide
CID 106620765
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
4-chloro-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106600096
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106620669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106620717) is 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide is Cc1ccc(C(N)=O)c(N(CC(C)C)CC2CCCN2)c1.
What is the InChIKey of 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is RHXNMISOYOUDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)10-20(11-14-5-4-8-19-14)16-9-13(3)6-7-15(16)17(18)21/h6-7,9,12,14,19H,4-5,8,10-11H2,1-3H3,(H2,18,21).
What are the key properties of 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide?
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 289.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106620717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).