3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide

C14H21ClN2O2 — CID 81489388

IUPAC3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-4-7-19-12-6-5-10(8-11(12)15)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18)
InChIKeyFFRXUIYAZVEEAV-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.05
Rot. Bonds6

About 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide

3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide (PubChem CID 81489388) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
PubChem CID81489388
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide
SMILESCCCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-4-7-19-12-6-5-10(8-11(12)15)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18)
InChIKeyFFRXUIYAZVEEAV-UHFFFAOYSA-N
XLogP3.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-chloro-4-ethoxyphenyl)-2,2-dimethylpropanamide
CID 81489227
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
(2R)-N-(3-chloro-4-propoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 100718617
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119676740
3-amino-2,2-dimethyl-N-(3-propoxyphenyl)propanamide;hydrochloride
CID 119715008
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
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-amino-N-(3,4-dipropoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119265988
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide (CID 81489388) is 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide is CCCOc1ccc(NC(=O)C(C)(C)CN)cc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is FFRXUIYAZVEEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-7-19-12-6-5-10(8-11(12)15)17-13(18)14(2,3)9-16/h5-6,8H,4,7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide?
3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 284.79 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-4-propoxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 81489388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).