N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide

C16H26N2O2 — CID 103657650

IUPACN-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
SMILESCCC(CC)C(O)CNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)16(20)11-17-10-13-6-8-15(9-7-13)18-12(3)19/h6-9,14,16-17,20H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyRBPXEQUMCFCLAB-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds8

About N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide

N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide (PubChem CID 103657650) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
PubChem CID103657650
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide
SMILESCCC(CC)C(O)CNCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C16H26N2O2/c1-4-14(5-2)16(20)11-17-10-13-6-8-15(9-7-13)18-12(3)19/h6-9,14,16-17,20H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyRBPXEQUMCFCLAB-UHFFFAOYSA-N
XLogP2.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214
4-acetamido-N-(3-ethyl-2-hydroxypentyl)benzamide
CID 103658545
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
CID 106285628
N-[4-[(2-methylprop-2-enylamino)methyl]phenyl]acetamide
CID 20518349
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172
2-[(4-acetamidophenyl)methylamino]acetamide
CID 16773031
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]phenyl]acetamide
CID 79478656
1-[(4-bromo-3-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103773684
3-[(4-acetamidophenyl)methylamino]propanamide
CID 43553315
N-[4-[[(2-hydroxy-2,3-dimethylbutyl)amino]methyl]phenyl]acetamide
CID 111118557
N-[4-[(ethylsulfonylamino)methyl]phenyl]acetamide
CID 47371785

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide (CID 103657650) is N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide is CCC(CC)C(O)CNCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide?
The InChIKey is RBPXEQUMCFCLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-14(5-2)16(20)11-17-10-13-6-8-15(9-7-13)18-12(3)19/h6-9,14,16-17,20H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide?
N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-ethyl-2-hydroxypentyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 103657650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).