N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide

C14H20N2O2 — CID 142843740

IUPACN-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)CC(C)C=O)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-12(6-10)14(18)16-8-13(15)7-11(2)9-17/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyNAGOLXDBQJWZGC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds6

About N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide

N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide (PubChem CID 142843740) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
PubChem CID142843740
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(N)CC(C)C=O)c1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-12(6-10)14(18)16-8-13(15)7-11(2)9-17/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyNAGOLXDBQJWZGC-UHFFFAOYSA-N
XLogP1.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(2-amino-5-hydroxy-4-methylpentyl)-3-formylbenzamide
CID 142843843
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-methyl-N-(4-methyl-1-oxopentan-2-yl)oxybenzamide
CID 143833952
3-methyl-N-phenacylbenzamide
CID 3417494

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide?
The IUPAC name of N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide (CID 142843740) is N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide?
The canonical SMILES for N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(N)CC(C)C=O)c1.
What is the InChIKey of N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide?
The InChIKey is NAGOLXDBQJWZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-5-12(6-10)14(18)16-8-13(15)7-11(2)9-17/h3-6,9,11,13H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide?
N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide is sourced from PubChem (CID 142843740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).