4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide

C20H34N2O3 — CID 166947124

IUPAC4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)(C)OCCC(C)(C)OCCN)cc1
InChIInChI=1S/C20H34N2O3/c1-16-6-8-17(9-7-16)22-18(23)10-11-19(2,3)24-14-12-20(4,5)25-15-13-21/h6-9H,10-15,21H2,1-5H3,(H,22,23)
InChIKeyBJLAMAQLDWIMDZ-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.65
Rot. Bonds11

About 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide

4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide (PubChem CID 166947124) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide
PubChem CID166947124
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide
SMILESCc1ccc(NC(=O)CCC(C)(C)OCCC(C)(C)OCCN)cc1
InChIInChI=1S/C20H34N2O3/c1-16-6-8-17(9-7-16)22-18(23)10-11-19(2,3)24-14-12-20(4,5)25-15-13-21/h6-9H,10-15,21H2,1-5H3,(H,22,23)
InChIKeyBJLAMAQLDWIMDZ-UHFFFAOYSA-N
XLogP3.65
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide 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

3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
2-(1-amino-2-methylpropan-2-yl)oxy-N-(4-methylphenyl)acetamide
CID 65053562
tert-butyl 8-[4-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyanilino]-8-oxooctanoate
CID 167108281
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
2-methoxyethyl 4-(4-methylanilino)-4-oxobutanoate
CID 17339062
3-(4-tert-butylphenoxy)-N-(4-methylphenyl)propanamide
CID 18266665
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
(3-methoxy-3-methylbutyl) 3-(4-methylanilino)propanoate
CID 106666213
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
CID 45255323
N,3-bis(4-methylphenyl)propanamide
CID 19220434

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide?
The IUPAC name of 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide (CID 166947124) is 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide.
What is the SMILES notation for 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide?
The canonical SMILES for 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide is Cc1ccc(NC(=O)CCC(C)(C)OCCC(C)(C)OCCN)cc1.
What is the InChIKey of 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide?
The InChIKey is BJLAMAQLDWIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-16-6-8-17(9-7-16)22-18(23)10-11-19(2,3)24-14-12-20(4,5)25-15-13-21/h6-9H,10-15,21H2,1-5H3,(H,22,23).
What are the key properties of 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide?
4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide has a molecular weight of 350.50 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethoxy)-3-methylbutoxy]-4-methyl-N-(4-methylphenyl)pentanamide is sourced from PubChem (CID 166947124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).