N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide

C14H21ClN2O2 — CID 115637893

IUPACN-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10-5-6-12(11(15)7-10)16-13(19)8-17(4)14(2,3)9-18/h5-7,18H,8-9H2,1-4H3,(H,16,19)
InChIKeySZMWWLRYHMFNHG-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.29
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide

N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide (PubChem CID 115637893) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
PubChem CID115637893
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(C)(C)CO)c(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10-5-6-12(11(15)7-10)16-13(19)8-17(4)14(2,3)9-18/h5-7,18H,8-9H2,1-4H3,(H,16,19)
InChIKeySZMWWLRYHMFNHG-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide (CID 115637893) is N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide is Cc1ccc(NC(=O)CN(C)C(C)(C)CO)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide?
The InChIKey is SZMWWLRYHMFNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-5-6-12(11(15)7-10)16-13(19)8-17(4)14(2,3)9-18/h5-7,18H,8-9H2,1-4H3,(H,16,19).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide?
N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide has a molecular weight of 284.79 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetamide is sourced from PubChem (CID 115637893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).