N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide

C14H22N2O3 — CID 66170692

IUPACN-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)(O)CO)c1
InChIInChI=1S/C14H22N2O3/c1-10(15-8-14(3,19)9-17)12-5-4-6-13(7-12)16-11(2)18/h4-7,10,15,17,19H,8-9H2,1-3H3,(H,16,18)
InChIKeyPOUJDMUYFCUNHS-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.04
Rot. Bonds6

About N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide (PubChem CID 66170692) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
PubChem CID66170692
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(C)(O)CO)c1
InChIInChI=1S/C14H22N2O3/c1-10(15-8-14(3,19)9-17)12-5-4-6-13(7-12)16-11(2)18/h4-7,10,15,17,19H,8-9H2,1-3H3,(H,16,18)
InChIKeyPOUJDMUYFCUNHS-UHFFFAOYSA-N
XLogP1.04
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]ethyl]phenyl]acetamide
CID 103784147
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
CID 60979755
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[3-[1-[(2-hydroxy-4-methylpentyl)amino]ethyl]phenyl]acetamide
CID 103779662
2-methyl-3-(1-pyridin-4-ylethylamino)propane-1,2-diol
CID 66170728
(Z)-4-[1-(3-acetamidophenyl)ethylamino]-2-methylbut-2-enoic acid
CID 103240394

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide (CID 66170692) is N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCC(C)(O)CO)c1.
What is the InChIKey of N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide?
The InChIKey is POUJDMUYFCUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(15-8-14(3,19)9-17)12-5-4-6-13(7-12)16-11(2)18/h4-7,10,15,17,19H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 66170692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).