N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide

C15H22N2O — CID 43136724

IUPACN-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-4-6-13(7-5-12)15(18)17(11-3-10-16)14-8-9-14/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeySSULQECSHGVOLC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.20
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide

N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide (PubChem CID 43136724) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
PubChem CID43136724
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide
SMILESCCc1ccc(C(=O)N(CCCN)C2CC2)cc1
InChIInChI=1S/C15H22N2O/c1-2-12-4-6-13(7-5-12)15(18)17(11-3-10-16)14-8-9-14/h4-7,14H,2-3,8-11,16H2,1H3
InChIKeySSULQECSHGVOLC-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-4-methoxybenzamide
CID 43136784
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-N-cyclobutyl-5-ethylfuran-2-carboxamide
CID 102873797
N-(3-aminopropyl)-N-cyclopropyl-4-(difluoromethoxy)benzamide
CID 43136734
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-cyclobutyl-4-(hydroxymethyl)-N-(3-hydroxypropyl)benzamide
CID 102866633
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cyclobutyl-5-methylfuran-3-carboxamide
CID 102873978

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide (CID 43136724) is N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide is CCc1ccc(C(=O)N(CCCN)C2CC2)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide?
The InChIKey is SSULQECSHGVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-12-4-6-13(7-5-12)15(18)17(11-3-10-16)14-8-9-14/h4-7,14H,2-3,8-11,16H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide?
N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-4-ethylbenzamide is sourced from PubChem (CID 43136724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).