N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide

C14H22N2O2 — CID 22769472

IUPACN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)16-9-8-15-10-13(17)12-6-4-11(2)5-7-12/h4-7,13,15,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyFPPPCWZMGMMOGW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.14
Rot. Bonds7

About N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide

N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide (PubChem CID 22769472) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
PubChem CID22769472
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide
SMILESCCC(=O)NCCNCC(O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O2/c1-3-14(18)16-9-8-15-10-13(17)12-6-4-11(2)5-7-12/h4-7,13,15,17H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyFPPPCWZMGMMOGW-UHFFFAOYSA-N
XLogP1.14
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.14
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide?
The IUPAC name of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide (CID 22769472) is N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide.
What is the SMILES notation for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide?
The canonical SMILES for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide is CCC(=O)NCCNCC(O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide?
The InChIKey is FPPPCWZMGMMOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(18)16-9-8-15-10-13(17)12-6-4-11(2)5-7-12/h4-7,13,15,17H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide?
N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]ethyl]propanamide is sourced from PubChem (CID 22769472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).