N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide

C18H30N2O2 — CID 119653171

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C18H30N2O2/c1-13(2)15-8-7-9-16(10-15)22-14(3)17(21)20(6)12-18(4,5)11-19/h7-10,13-14H,11-12,19H2,1-6H3
InChIKeyHAQNYSXJCALZKL-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.02
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide (PubChem CID 119653171) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
PubChem CID119653171
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
SMILESCC(Oc1cccc(C(C)C)c1)C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C18H30N2O2/c1-13(2)15-8-7-9-16(10-15)22-14(3)17(21)20(6)12-18(4,5)11-19/h7-10,13-14H,11-12,19H2,1-6H3
InChIKeyHAQNYSXJCALZKL-UHFFFAOYSA-N
XLogP3.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119654882
N-(3-amino-2,2-dimethylpropyl)-2-(4-chloro-3-methylphenoxy)-N-methylpropanamide
CID 119655638
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819
N-(3-amino-2,2-dimethylpropyl)-2-(2,3-dichlorophenoxy)-N-methylpropanamide;hydrochloride
CID 119656929
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-phenylpropanamide
CID 114028856
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119606053
N-(3-amino-2,2-dimethylpropyl)-2-(2,4-dichlorophenoxy)-N-methylpropanamide
CID 119653129
N-(3-amino-2,2-dimethylpropyl)-2-(2-chloro-5-methylphenoxy)-N-methylpropanamide
CID 119656231
N-(2-amino-2-methylpropyl)-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119626548
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
CID 119206542

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide (CID 119653171) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide is CC(Oc1cccc(C(C)C)c1)C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide?
The InChIKey is HAQNYSXJCALZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)15-8-7-9-16(10-15)22-14(3)17(21)20(6)12-18(4,5)11-19/h7-10,13-14H,11-12,19H2,1-6H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide has a molecular weight of 306.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 119653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).