N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide

C15H22N2O — CID 81485410

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)C2CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-4-5-12(8-11(10)2)14(18)17-15(3,9-16)13-6-7-13/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyGCXHBPWJGHRBQS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.16
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide (PubChem CID 81485410) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
PubChem CID81485410
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC(C)(CN)C2CC2)cc1C
InChIInChI=1S/C15H22N2O/c1-10-4-5-12(8-11(10)2)14(18)17-15(3,9-16)13-6-7-13/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyGCXHBPWJGHRBQS-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide (CID 81485410) is N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC(C)(CN)C2CC2)cc1C.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide?
The InChIKey is GCXHBPWJGHRBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-4-5-12(8-11(10)2)14(18)17-15(3,9-16)13-6-7-13/h4-5,8,13H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 81485410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).