N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide

C16H26N2O — CID 55241197

IUPACN-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCN)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-15(6-2)18(10-9-17)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15H,5-6,9-10,17H2,1-4H3
InChIKeyNBJOJQREIUSBAI-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.89
Rot. Bonds6

About N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide

N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 55241197) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
PubChem CID55241197
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCN)C(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-15(6-2)18(10-9-17)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15H,5-6,9-10,17H2,1-4H3
InChIKeyNBJOJQREIUSBAI-UHFFFAOYSA-N
XLogP2.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
N-(2-aminoethyl)-N-pentan-3-yl-3-(trifluoromethyl)benzamide
CID 63754755
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
2-[butan-2-yl-(3,4-dimethylbenzoyl)amino]acetic acid
CID 60829898
N-(2-aminoethyl)-2-hydroxy-4-methyl-N-pentan-3-ylbenzamide
CID 63754932
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
N-(1-aminopropan-2-yl)-N,3,4-trimethylbenzamide;hydrochloride
CID 119584915
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 63212442

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide (CID 55241197) is N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCN)C(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is NBJOJQREIUSBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-15(6-2)18(10-9-17)16(19)14-8-7-12(3)13(4)11-14/h7-8,11,15H,5-6,9-10,17H2,1-4H3.
What are the key properties of N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide?
N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 55241197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).