N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide

C15H22N2O — CID 115307666

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C15H22N2O/c1-3-11-6-4-5-7-13(11)14(18)17-15(2,10-16)12-8-9-12/h4-7,12H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyCRKMRBOTLNWNDX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.11
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide (PubChem CID 115307666) 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)-2-ethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
PubChem CID115307666
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide
SMILESCCc1ccccc1C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C15H22N2O/c1-3-11-6-4-5-7-13(11)14(18)17-15(2,10-16)12-8-9-12/h4-7,12H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyCRKMRBOTLNWNDX-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-1H-indole-7-carboxamide
CID 115307642
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119573875
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-phenylpropanamide
CID 115307744
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-bromophenyl)propanamide
CID 119575176
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide (CID 115307666) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide is CCc1ccccc1C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide?
The InChIKey is CRKMRBOTLNWNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-11-6-4-5-7-13(11)14(18)17-15(2,10-16)12-8-9-12/h4-7,12H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-ethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.11, 5 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)-2-ethylbenzamide is sourced from PubChem (CID 115307666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).