2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide

C13H18N2O4 — CID 108540071

IUPAC2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
SMILESCOCCC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O4/c1-19-9-6-12(17)14-7-8-15-13(18)10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFTTSDAVQZIHIKQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.27
Rot. Bonds7

About 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide

2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide (PubChem CID 108540071) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
PubChem CID108540071
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide
SMILESCOCCC(=O)NCCNC(=O)c1ccccc1O
InChIInChI=1S/C13H18N2O4/c1-19-9-6-12(17)14-7-8-15-13(18)10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,14,17)(H,15,18)
InChIKeyFTTSDAVQZIHIKQ-UHFFFAOYSA-N
XLogP0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
2-hydroxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039586
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]-2-hydroxybenzamide
CID 108540073
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
2-chloro-N-[2-[(2-methoxyacetyl)amino]ethyl]benzamide
CID 47029147
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
2-hydroxy-N-[2-[[(9Z,11E,13E,15Z)-octadeca-9,11,13,15-tetraenoyl]amino]ethyl]benzamide
CID 127032160

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide (CID 108540071) is 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide is COCCC(=O)NCCNC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide?
The InChIKey is FTTSDAVQZIHIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-9-6-12(17)14-7-8-15-13(18)10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide?
2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide has a molecular weight of 266.30 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(3-methoxypropanoylamino)ethyl]benzamide is sourced from PubChem (CID 108540071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).