4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide

C15H22N2O — CID 114110930

IUPAC4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)(C)C1CC1
InChIInChI=1S/C15H22N2O/c1-10-8-11(14(16)18)4-5-12(10)9-17-15(2,3)13-6-7-13/h4-5,8,13,17H,6-7,9H2,1-3H3,(H2,16,18)
InChIKeyBPTKDARTUWMVRX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.37
Rot. Bonds5

About 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide

4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide (PubChem CID 114110930) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
PubChem CID114110930
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNC(C)(C)C1CC1
InChIInChI=1S/C15H22N2O/c1-10-8-11(14(16)18)4-5-12(10)9-17-15(2,3)13-6-7-13/h4-5,8,13,17H,6-7,9H2,1-3H3,(H2,16,18)
InChIKeyBPTKDARTUWMVRX-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[(3-hydroxycyclobutyl)amino]methyl]-3-methylbenzamide
CID 114480489
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-methyl-4-[[(2-methylcyclohexyl)methylamino]methyl]benzamide
CID 114480123
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[(4-fluoro-2-methoxyanilino)methyl]-3-methylbenzamide
CID 114480113
1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide (CID 114110930) is 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNC(C)(C)C1CC1.
What is the InChIKey of 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide?
The InChIKey is BPTKDARTUWMVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-8-11(14(16)18)4-5-12(10)9-17-15(2,3)13-6-7-13/h4-5,8,13,17H,6-7,9H2,1-3H3,(H2,16,18).
What are the key properties of 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide?
4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropylpropan-2-ylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114110930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).