N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide

C16H26N2O3 — CID 66232216

IUPACN-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCCC(C)(C)C)c(N)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)8-10-21-9-7-15(19)18-14-6-5-12(20-4)11-13(14)17/h5-6,11H,7-10,17H2,1-4H3,(H,18,19)
InChIKeyQUMFBOZAGHDZLS-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.06
Rot. Bonds7

About N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide

N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide (PubChem CID 66232216) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
PubChem CID66232216
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOCCC(C)(C)C)c(N)c1
InChIInChI=1S/C16H26N2O3/c1-16(2,3)8-10-21-9-7-15(19)18-14-6-5-12(20-4)11-13(14)17/h5-6,11H,7-10,17H2,1-4H3,(H,18,19)
InChIKeyQUMFBOZAGHDZLS-UHFFFAOYSA-N
XLogP3.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82781335
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxypropylsulfanyl)butanamide
CID 66114270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide (CID 66232216) is N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide is COc1ccc(NC(=O)CCOCCC(C)(C)C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide?
The InChIKey is QUMFBOZAGHDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-16(2,3)8-10-21-9-7-15(19)18-14-6-5-12(20-4)11-13(14)17/h5-6,11H,7-10,17H2,1-4H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide has a molecular weight of 294.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide is sourced from PubChem (CID 66232216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).