N-(2-amino-3-ethylpentyl)-3-methylbenzamide

C15H24N2O — CID 106286438

IUPACN-(2-amino-3-ethylpentyl)-3-methylbenzamide
SMILESCCC(CC)C(N)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-12(5-2)14(16)10-17-15(18)13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyVHFNPXOJCPRUEC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.49
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-3-methylbenzamide

N-(2-amino-3-ethylpentyl)-3-methylbenzamide (PubChem CID 106286438) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-3-methylbenzamide
PubChem CID106286438
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(2-amino-3-ethylpentyl)-3-methylbenzamide
SMILESCCC(CC)C(N)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-4-12(5-2)14(16)10-17-15(18)13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H,17,18)
InChIKeyVHFNPXOJCPRUEC-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-amino-3-ethylpentyl)-2-methylpyridine-4-carboxamide
CID 114168485
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-amino-3-ethylpentyl)-2-oxo-1H-pyridine-4-carboxamide
CID 114168502
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-3-methylbenzamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-3-methylbenzamide (CID 106286438) is N-(2-amino-3-ethylpentyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-3-methylbenzamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-3-methylbenzamide is CCC(CC)C(N)CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-3-methylbenzamide?
The InChIKey is VHFNPXOJCPRUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(5-2)14(16)10-17-15(18)13-8-6-7-11(3)9-13/h6-9,12,14H,4-5,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-3-ethylpentyl)-3-methylbenzamide?
N-(2-amino-3-ethylpentyl)-3-methylbenzamide has a molecular weight of 248.37 g/mol, XLogP of 2.49, 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-methylbenzamide is sourced from PubChem (CID 106286438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).