2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide

C18H21ClN2O2 — CID 22421197

IUPAC2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(N)Cc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(20,17(22)21-2)11-13-6-8-16(9-7-13)23-12-14-4-3-5-15(19)10-14/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyBUSGEXYNNDRYHC-UHFFFAOYSA-N
MW332.83 g/mol
LogP2.92
Rot. Bonds6

About 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide

2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide (PubChem CID 22421197) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
PubChem CID22421197
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(N)Cc1ccc(OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-18(20,17(22)21-2)11-13-6-8-16(9-7-13)23-12-14-4-3-5-15(19)10-14/h3-10H,11-12,20H2,1-2H3,(H,21,22)
InChIKeyBUSGEXYNNDRYHC-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[4-[(3-chlorophenoxy)methyl]phenyl]-2-methylpropanamide
CID 175087244
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide
CID 10639305
2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-N-methylacetamide;hydrochloride
CID 139767883
(2R)-2-[4-[(3-chlorophenyl)methoxy]phenoxy]-N-methylpropanamide
CID 11594891
2-[4-[(3-chlorophenyl)methoxy]anilino]acetamide
CID 10732289
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
CID 65126970
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
N-(1-amino-2-methylpropan-2-yl)-3-[(3-chlorophenyl)methoxy]benzamide
CID 119521607
(2S)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylamino]-2-phenylacetamide
CID 23625504

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide?
The IUPAC name of 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide (CID 22421197) is 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide?
The canonical SMILES for 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide is CNC(=O)C(C)(N)Cc1ccc(OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide?
The InChIKey is BUSGEXYNNDRYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(20,17(22)21-2)11-13-6-8-16(9-7-13)23-12-14-4-3-5-15(19)10-14/h3-10H,11-12,20H2,1-2H3,(H,21,22).
What are the key properties of 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide?
2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide has a molecular weight of 332.83 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-[(3-chlorophenyl)methoxy]phenyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 22421197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).