3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

C12H17NO3 — CID 60655677

IUPAC3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-2-6-13(7-8-14)12(16)10-4-3-5-11(15)9-10/h3-5,9,14-15H,2,6-8H2,1H3
InChIKeyPIPBNYOUJYYIMZ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.24
Rot. Bonds5

About 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide

3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (PubChem CID 60655677) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
PubChem CID60655677
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
SMILESCCCN(CCO)C(=O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-2-6-13(7-8-14)12(16)10-4-3-5-11(15)9-10/h3-5,9,14-15H,2,6-8H2,1H3
InChIKeyPIPBNYOUJYYIMZ-UHFFFAOYSA-N
XLogP1.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propyl-3-(trifluoromethyl)benzamide
CID 60655793
N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)-N-propylbenzamide
CID 60682129
N,N-bis(2-hydroxyethyl)-3-methylbenzamide
CID 60653227
3-chloro-N,N-dipropylbenzamide
CID 669182
2,5-dihydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 107722509
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
3-methoxy-N,N-dipropylbenzamide
CID 669439
4-bromo-N-(2-hydroxyethyl)-3-methyl-N-propylbenzamide
CID 112706331
ethane;N-(2-hydroxyethyl)-4-methyl-N-propylbenzamide
CID 176553147
N-(2-hydroxyethyl)-4-(hydroxymethyl)-N-propylbenzamide
CID 61425097
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide (CID 60655677) is 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide is CCCN(CCO)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
The InChIKey is PIPBNYOUJYYIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-6-13(7-8-14)12(16)10-4-3-5-11(15)9-10/h3-5,9,14-15H,2,6-8H2,1H3.
What are the key properties of 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide?
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide is sourced from PubChem (CID 60655677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).