N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide

C17H26N2O — CID 63755155

IUPACN-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(CCN)C2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)14-7-9-15(10-8-14)17(20)19(12-11-18)16-5-3-4-6-16/h7-10,13,16H,3-6,11-12,18H2,1-2H3
InChIKeyVCPVHZVZJJCORX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.15
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide

N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide (PubChem CID 63755155) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
PubChem CID63755155
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)N(CCN)C2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)14-7-9-15(10-8-14)17(20)19(12-11-18)16-5-3-4-6-16/h7-10,13,16H,3-6,11-12,18H2,1-2H3
InChIKeyVCPVHZVZJJCORX-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-4-(trifluoromethyl)benzamide
CID 63754982
N-(2-aminoethyl)-N-cyclobutyl-4-methylsulfonylbenzamide
CID 102874024
N-piperidin-3-yl-4-propan-2-yl-N-propylbenzamide
CID 60807585
N-(2-aminoethyl)-N-cyclopentyl-3-fluoro-4-methylbenzamide
CID 63755708
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-ethyl-N-piperidin-4-yl-4-propan-2-ylbenzamide
CID 60805737
N-(azetidin-3-yl)-N-ethyl-4-propan-2-ylbenzamide
CID 66184231
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide (CID 63755155) is N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)N(CCN)C2CCCC2)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide?
The InChIKey is VCPVHZVZJJCORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)14-7-9-15(10-8-14)17(20)19(12-11-18)16-5-3-4-6-16/h7-10,13,16H,3-6,11-12,18H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide?
N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopentyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 63755155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).