N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide

C16H26N2O — CID 106285997

IUPACN-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
SMILESCCC(CC)C(N)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-13(6-2)15(17)10-18-16(19)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyRMOFHUZGWIBTLT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide

N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide (PubChem CID 106285997) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
PubChem CID106285997
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
SMILESCCC(CC)C(N)CNC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-5-13(6-2)15(17)10-18-16(19)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10,17H2,1-4H3,(H,18,19)
InChIKeyRMOFHUZGWIBTLT-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
4-bromo-N-(2-bromo-3-ethylpentyl)-3-methylbenzamide
CID 106288005
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086
N-(3-amino-2,2-dimethylpropyl)-3,4-dimethylbenzamide
CID 115365610
N-(diaminomethyl)-3,4-dimethylbenzamide
CID 154522714
N-(2-amino-3-ethylpentyl)-1H-pyrazole-4-carboxamide
CID 106285778
3,4-dimethyl-N-[2-(propanoylamino)ethyl]benzamide
CID 108542747

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide (CID 106285997) is N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide is CCC(CC)C(N)CNC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide?
The InChIKey is RMOFHUZGWIBTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-13(6-2)15(17)10-18-16(19)14-8-7-11(3)12(4)9-14/h7-9,13,15H,5-6,10,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide?
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 106285997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).