N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide

C15H24N2O — CID 114148877

IUPACN-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-10-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyQCSCQYKAUAKFAU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds6

About N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide

N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide (PubChem CID 114148877) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
PubChem CID114148877
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)CCN)cc1
InChIInChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-10-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18)
InChIKeyQCSCQYKAUAKFAU-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(methylamino)propyl]-4-ethylbenzamide
CID 115271137
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
4-(aminomethyl)-N-[2-(4-ethylphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119334153
N-(5-amino-2,2-dimethylpentyl)-4-(dimethylamino)benzamide
CID 106140589
N-(4-amino-2,2-dimethylbutyl)-3,5-dihydroxybenzamide
CID 114148875
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-ethylbenzamide
CID 134039912
4-(2-aminoethyl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65107141
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(4-amino-2,2-dimethylbutyl)-3,4,5-trifluorobenzamide
CID 106139619
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
N-(2,2-dimethylpentyl)-4-(methylamino)benzamide
CID 115161129

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide (CID 114148877) is N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide is CCc1ccc(C(=O)NCC(C)(C)CCN)cc1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide?
The InChIKey is QCSCQYKAUAKFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12-5-7-13(8-6-12)14(18)17-11-15(2,3)9-10-16/h5-8H,4,9-11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide?
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide is sourced from PubChem (CID 114148877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).