N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide

C13H20N2O2 — CID 113430408

IUPACN-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C13H20N2O2/c1-10-5-3-4-6-12(10)13(17)15-8-7-14-9-11(2)16/h3-6,11,14,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyVSBYYZWZHWQQPX-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.70
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide

N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide (PubChem CID 113430408) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
PubChem CID113430408
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCNCC(C)O
InChIInChI=1S/C13H20N2O2/c1-10-5-3-4-6-12(10)13(17)15-8-7-14-9-11(2)16/h3-6,11,14,16H,7-9H2,1-2H3,(H,15,17)
InChIKeyVSBYYZWZHWQQPX-UHFFFAOYSA-N
XLogP0.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxypropylamino)ethyl]-2-methylpyridine-3-carboxamide
CID 104593577
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-methylbenzamide
CID 70545546
N-[2-(2-chloropropanoylamino)ethyl]-2-methylbenzamide
CID 108574801
N-[2-(2-hydroxypropylamino)ethyl]-3-methylfuran-2-carboxamide
CID 104593838
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
2-methylpropyl N-[2-[(2-methylbenzoyl)amino]ethyl]carbamate
CID 108574788
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
N-[2-(2-hydroxypropylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 104593540
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-methyl-5-[(2-methylbenzoyl)amino]pentanoic acid
CID 104681725

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide (CID 113430408) is N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCNCC(C)O.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide?
The InChIKey is VSBYYZWZHWQQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-3-4-6-12(10)13(17)15-8-7-14-9-11(2)16/h3-6,11,14,16H,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide?
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 113430408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).