N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide

C13H20N2O2 — CID 82829925

IUPACN-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
SMILESCCNCCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H20N2O2/c1-3-14-8-5-9-15-13(17)11-6-4-7-12(16)10(11)2/h4,6-7,14,16H,3,5,8-9H2,1-2H3,(H,15,17)
InChIKeyJSCKADXHZWQPQN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.43
Rot. Bonds6

About N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide

N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82829925) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
PubChem CID82829925
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
SMILESCCNCCCNC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H20N2O2/c1-3-14-8-5-9-15-13(17)11-6-4-7-12(16)10(11)2/h4,6-7,14,16H,3,5,8-9H2,1-2H3,(H,15,17)
InChIKeyJSCKADXHZWQPQN-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
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-(3-bromopropyl)-3-hydroxy-2-methylbenzamide
CID 82830177
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
3-[(3-hydroxy-2-methylbenzoyl)amino]propanoic acid
CID 82827188
N-[3-(ethylamino)propyl]quinoxaline-5-carboxamide
CID 104615443
methyl 6-[(3-hydroxy-2-methylbenzoyl)amino]hexanoate
CID 82786633
N-(3,3-dimethylbutyl)-3-hydroxy-2-methylbenzamide
CID 115868349
3-hydroxy-N-(3-hydroxypentyl)-2-methylbenzamide
CID 113342931
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
5-chloro-N-[3-(ethylamino)propyl]-2-hydroxybenzamide
CID 43601629
3-hydroxy-2-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82829166
3-hydroxy-N-[2-(2-hydroxyethoxy)ethyl]-2-methylbenzamide
CID 82829209
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide (CID 82829925) is N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide is CCNCCCNC(=O)c1cccc(O)c1C.
What is the InChIKey of N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is JSCKADXHZWQPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-14-8-5-9-15-13(17)11-6-4-7-12(16)10(11)2/h4,6-7,14,16H,3,5,8-9H2,1-2H3,(H,15,17).
What are the key properties of N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide?
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82829925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).