2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide

C18H21ClN2O2 — CID 119333060

IUPAC2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-18(2,20)17(22)21-11-13-7-3-4-8-14(13)12-23-16-10-6-5-9-15(16)19/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyUUXWBZCGBHXNDD-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds6

About 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide

2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide (PubChem CID 119333060) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
PubChem CID119333060
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-18(2,20)17(22)21-11-13-7-3-4-8-14(13)12-23-16-10-6-5-9-15(16)19/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyUUXWBZCGBHXNDD-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
N-tert-butyl-2-[[N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111776197
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800229
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
2-[[2-[(2-chlorophenoxy)methyl]phenyl]methylamino]pyridine-3-sulfonamide
CID 133353559
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119800227
methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate
CID 20667562

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide (CID 119333060) is 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide is CC(C)(N)C(=O)NCc1ccccc1COc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide?
The InChIKey is UUXWBZCGBHXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(2,20)17(22)21-11-13-7-3-4-8-14(13)12-23-16-10-6-5-9-15(16)19/h3-10H,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide?
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide has a molecular weight of 332.83 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 119333060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).