N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide

C18H22N2O3 — CID 123262857

IUPACN-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(CN(CCO)c2ccccc2)cc1)NO
InChIInChI=1S/C18H22N2O3/c21-13-12-20(17-4-2-1-3-5-17)14-16-8-6-15(7-9-16)10-11-18(22)19-23/h1-9,21,23H,10-14H2,(H,19,22)
InChIKeyLSRDJEZLANRBRY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.12
Rot. Bonds8

About N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide

N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide (PubChem CID 123262857) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide
PubChem CID123262857
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide
SMILESO=C(CCc1ccc(CN(CCO)c2ccccc2)cc1)NO
InChIInChI=1S/C18H22N2O3/c21-13-12-20(17-4-2-1-3-5-17)14-16-8-6-15(7-9-16)10-11-18(22)19-23/h1-9,21,23H,10-14H2,(H,19,22)
InChIKeyLSRDJEZLANRBRY-UHFFFAOYSA-N
XLogP2.12
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N-hydroxy-3-(4-phenylphenyl)propanamide
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N-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]methanesulfonamide
CID 71973102
benzene;formic acid;N-hydroxy-3-phenylpropanamide
CID 174900807
2-[N-(2-hydroxyethyl)anilino]-N-(2-phenylethyl)acetamide
CID 110877202
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N-[2-(4-fluorophenyl)ethyl]-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110877219
acetic acid;2-[N-(2-hydroxyethyl)anilino]ethanol
CID 22412424
N-[3-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]acetamide
CID 71973103
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[N-(pyrimidin-5-ylmethyl)anilino]ethanol
CID 99835017
N-ethyl-2-[N-(2-hydroxyethyl)anilino]acetamide
CID 110880306

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide?
The IUPAC name of N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide (CID 123262857) is N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide.
What is the SMILES notation for N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide?
The canonical SMILES for N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide is O=C(CCc1ccc(CN(CCO)c2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide?
The InChIKey is LSRDJEZLANRBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-13-12-20(17-4-2-1-3-5-17)14-16-8-6-15(7-9-16)10-11-18(22)19-23/h1-9,21,23H,10-14H2,(H,19,22).
What are the key properties of N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide?
N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide is sourced from PubChem (CID 123262857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).