N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide

C17H28N2O3 — CID 119652528

IUPACN-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,12-18)13-19(3)16(20)6-5-11-22-15-9-7-14(21-4)8-10-15/h7-10H,5-6,11-13,18H2,1-4H3
InChIKeyWWGDVIXCAKVURX-UHFFFAOYSA-N
MW308.42 g/mol
LogP2.30
Rot. Bonds9

About N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide

N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide (PubChem CID 119652528) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
PubChem CID119652528
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide
SMILESCOc1ccc(OCCCC(=O)N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C17H28N2O3/c1-17(2,12-18)13-19(3)16(20)6-5-11-22-15-9-7-14(21-4)8-10-15/h7-10H,5-6,11-13,18H2,1-4H3
InChIKeyWWGDVIXCAKVURX-UHFFFAOYSA-N
XLogP2.30
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-(4-bromophenoxy)-N-methylpentanamide
CID 119652808
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 119652613
N-(3-amino-2,2-dimethylpropyl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119656853
N-(3-amino-2,2-dimethylpropyl)-4-(2-chlorophenoxy)-N-methylbutanamide
CID 119657041
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(3-amino-2,2-dimethylpropyl)-4-(3-methoxypropoxy)-N-methylbenzamide;hydrochloride
CID 119654733
N-(3-amino-2,2-dimethylpropyl)-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 119656009
N-(3-amino-2,2-dimethylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide;hydrochloride
CID 119653875
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenoxyacetamide;hydrochloride
CID 119652959
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide (CID 119652528) is N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide is COc1ccc(OCCCC(=O)N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide?
The InChIKey is WWGDVIXCAKVURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-17(2,12-18)13-19(3)16(20)6-5-11-22-15-9-7-14(21-4)8-10-15/h7-10H,5-6,11-13,18H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide?
N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide has a molecular weight of 308.42 g/mol, XLogP of 2.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-(4-methoxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 119652528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).