N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide

C16H26N2O2 — CID 103779662

IUPACN-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(O)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-16(20)10-17-12(3)14-6-5-7-15(9-14)18-13(4)19/h5-7,9,11-12,16-17,20H,8,10H2,1-4H3,(H,18,19)
InChIKeyAEKHIATZOSIBTP-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.70
Rot. Bonds7

About N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide (PubChem CID 103779662) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
PubChem CID103779662
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(O)CC(C)C)c1
InChIInChI=1S/C16H26N2O2/c1-11(2)8-16(20)10-17-12(3)14-6-5-7-15(9-14)18-13(4)19/h5-7,9,11-12,16-17,20H,8,10H2,1-4H3,(H,18,19)
InChIKeyAEKHIATZOSIBTP-UHFFFAOYSA-N
XLogP2.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(3-ethoxy-2-hydroxypropyl)amino]ethyl]phenyl]acetamide
CID 63931523
N-[3-[1-[(4-hydroxy-2-phenylpentyl)amino]ethyl]phenyl]acetamide
CID 86779553
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-4-methylpentan-2-ol
CID 103779713
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[(1R)-1-[[(2R)-2-thiophen-3-ylpropyl]amino]ethyl]phenyl]acetamide
CID 97323196
N-[3-[1-[2-(2-methylpropoxy)ethylamino]ethyl]phenyl]acetamide
CID 115713617
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(5-methylhexan-2-ylamino)ethyl]phenyl]acetamide
CID 43206504
N-[3-[1-(2-methylpropoxyamino)ethyl]phenyl]acetamide
CID 82710844
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide (CID 103779662) is N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC(O)CC(C)C)c1.
What is the InChIKey of N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide?
The InChIKey is AEKHIATZOSIBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)8-16(20)10-17-12(3)14-6-5-7-15(9-14)18-13(4)19/h5-7,9,11-12,16-17,20H,8,10H2,1-4H3,(H,18,19).
What are the key properties of N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 103779662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).