4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide

C17H25N3O — CID 106620002

IUPAC4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
SMILESCc1cc(N(CC2CC2)CC2CCCN2)ccc1C(N)=O
InChIInChI=1S/C17H25N3O/c1-12-9-15(6-7-16(12)17(18)21)20(10-13-4-5-13)11-14-3-2-8-19-14/h6-7,9,13-14,19H,2-5,8,10-11H2,1H3,(H2,18,21)
InChIKeyNMPCXXXMLHXTAW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.06
Rot. Bonds6

About 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide

4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide (PubChem CID 106620002) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
PubChem CID106620002
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
SMILESCc1cc(N(CC2CC2)CC2CCCN2)ccc1C(N)=O
InChIInChI=1S/C17H25N3O/c1-12-9-15(6-7-16(12)17(18)21)20(10-13-4-5-13)11-14-3-2-8-19-14/h6-7,9,13-14,19H,2-5,8,10-11H2,1H3,(H2,18,21)
InChIKeyNMPCXXXMLHXTAW-UHFFFAOYSA-N
XLogP2.06
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.06
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
2-bromo-4-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 107280969
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620042
4-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106620717
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-[cyclopropylmethyl(ethyl)amino]-2-methylbenzoic acid
CID 63954988
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-3-fluorobenzamide
CID 106619510
N-(cyclopropylmethyl)-2-hydroxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608691
2-methyl-4-(2-piperidin-2-ylethoxy)benzamide
CID 81276506
4-[cyclopropylmethyl(propyl)amino]-2-methylbenzoic acid
CID 62134263
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide?
The IUPAC name of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide (CID 106620002) is 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide.
What is the SMILES notation for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide?
The canonical SMILES for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide is Cc1cc(N(CC2CC2)CC2CCCN2)ccc1C(N)=O.
What is the InChIKey of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide?
The InChIKey is NMPCXXXMLHXTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-9-15(6-7-16(12)17(18)21)20(10-13-4-5-13)11-14-3-2-8-19-14/h6-7,9,13-14,19H,2-5,8,10-11H2,1H3,(H2,18,21).
What are the key properties of 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide?
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide is sourced from PubChem (CID 106620002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).