N-(2-aminopropyl)-3-methylbenzamide

C11H16N2O — CID 63733332

IUPACN-(2-aminopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)N)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7,12H2,1-2H3,(H,13,14)
InChIKeySNHGNRUCUDLYGB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.07
Rot. Bonds3

About N-(2-aminopropyl)-3-methylbenzamide

N-(2-aminopropyl)-3-methylbenzamide (PubChem CID 63733332) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(2-aminopropyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3-methylbenzamide
PubChem CID63733332
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(2-aminopropyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)N)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7,12H2,1-2H3,(H,13,14)
InChIKeySNHGNRUCUDLYGB-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
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-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-(2-amino-4-methyl-5-oxopentyl)-3-methylbenzamide
CID 142843740
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
CID 91333168
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3-methylbenzamide?
The IUPAC name of N-(2-aminopropyl)-3-methylbenzamide (CID 63733332) is N-(2-aminopropyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-aminopropyl)-3-methylbenzamide?
The canonical SMILES for N-(2-aminopropyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)N)c1.
What is the InChIKey of N-(2-aminopropyl)-3-methylbenzamide?
The InChIKey is SNHGNRUCUDLYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)11(14)13-7-9(2)12/h3-6,9H,7,12H2,1-2H3,(H,13,14).
What are the key properties of N-(2-aminopropyl)-3-methylbenzamide?
N-(2-aminopropyl)-3-methylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3-methylbenzamide is sourced from PubChem (CID 63733332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).