2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide

C13H19ClN2O2 — CID 61266597

IUPAC2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-7-18-11-6-5-9(8-10(11)14)16-12(17)13(2,3)15/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyCSWVAVURXMNQQF-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.80
Rot. Bonds5

About 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide

2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide (PubChem CID 61266597) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
PubChem CID61266597
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-7-18-11-6-5-9(8-10(11)14)16-12(17)13(2,3)15/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)
InChIKeyCSWVAVURXMNQQF-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
CID 81489388
2-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
1-(3-chloro-4-propoxyphenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111473934
3-[(3-chloro-4-propoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077131
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide (CID 61266597) is 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide is CCCOc1ccc(NC(=O)C(C)(C)N)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide?
The InChIKey is CSWVAVURXMNQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-7-18-11-6-5-9(8-10(11)14)16-12(17)13(2,3)15/h5-6,8H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide?
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 61266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).