N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide

C13H18N2O3 — CID 54986420

IUPACN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(17)9-15(4-2)13(18)10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyKNPWQPCYERWGJB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.99
Rot. Bonds5

About N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide (PubChem CID 54986420) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
PubChem CID54986420
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide
SMILESCCNC(=O)CN(CC)C(=O)c1cccc(O)c1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(17)9-15(4-2)13(18)10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,14,17)
InChIKeyKNPWQPCYERWGJB-UHFFFAOYSA-N
XLogP0.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[2-(ethylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 34797434
N,N-diethyl-3-[[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 40700702
N-ethyl-3-hydroxybenzamide
CID 13175248
3,5-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107585
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxy-2-methylbenzamide
CID 82795366
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-hydroxybenzamide
CID 79667906
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-(methoxymethyl)benzamide
CID 47110132
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 61421066
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
CID 54986422
3-bromo-5-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 113286144
6-chloro-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 55052683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide?
The IUPAC name of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide (CID 54986420) is N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide?
The canonical SMILES for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide is CCNC(=O)CN(CC)C(=O)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide?
The InChIKey is KNPWQPCYERWGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-12(17)9-15(4-2)13(18)10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,14,17).
What are the key properties of N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide?
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide has a molecular weight of 250.30 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3-hydroxybenzamide is sourced from PubChem (CID 54986420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).