N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide

C13H20N2O2 — CID 141243287

IUPACN-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)c1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O2/c1-5-9(2)13(16)15(3)12-8-10(17-4)6-7-11(12)14/h6-9H,5,14H2,1-4H3
InChIKeySOCBGOXCQYPRPL-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds4

About N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide

N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide (PubChem CID 141243287) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
PubChem CID141243287
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)c1cc(OC)ccc1N
InChIInChI=1S/C13H20N2O2/c1-5-9(2)13(16)15(3)12-8-10(17-4)6-7-11(12)14/h6-9H,5,14H2,1-4H3
InChIKeySOCBGOXCQYPRPL-UHFFFAOYSA-N
XLogP2.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
(2S)-N-(2-aminophenyl)-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide
CID 143377610
N-(4-aminophenyl)-N,2-dimethylbutanamide
CID 43114423
N-(2-bromo-4-methoxyphenyl)-N,2-dimethylpropanamide
CID 15835966
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid
CID 68662590
2-(2-amino-5-methoxyphenyl)sulfanyl-N-butan-2-ylacetamide
CID 79518792
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
[1-(diethylamino)-1-oxopropan-2-yl] 2-amino-5-methoxybenzoate
CID 61321110
2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-5-methoxybenzamide
CID 115412619
3-amino-N-(5-bromo-2-methoxyphenyl)-N,2-dimethylpropanamide
CID 115153548
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide (CID 141243287) is N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)c1cc(OC)ccc1N.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide?
The InChIKey is SOCBGOXCQYPRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-9(2)13(16)15(3)12-8-10(17-4)6-7-11(12)14/h6-9H,5,14H2,1-4H3.
What are the key properties of N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide?
N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 141243287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).