4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride

C17H29ClN2O2 — CID 119815204

IUPAC4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(2)12-21-16-9-7-15(8-10-16)14(3)19-17(20)6-5-11-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H
InChIKeyQFGNNUUOJWOYEG-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.32
Rot. Bonds9

About 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride

4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride (PubChem CID 119815204) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
PubChem CID119815204
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-13(2)12-21-16-9-7-15(8-10-16)14(3)19-17(20)6-5-11-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H
InChIKeyQFGNNUUOJWOYEG-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride 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-[(1S)-1-(4-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81364091
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959
N-ethyl-3-[1-[4-(2-methylpropoxy)phenyl]ethylamino]propanamide
CID 115902066
4-[[(2S)-2-aminopropanoyl]amino]-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 119345046
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
4-(methylamino)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]butanamide
CID 119721996
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
2-amino-3-methyl-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119815236

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride (CID 119815204) is 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride is CNCCCC(=O)NC(C)c1ccc(OCC(C)C)cc1.Cl.
What is the InChIKey of 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride?
The InChIKey is QFGNNUUOJWOYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-13(2)12-21-16-9-7-15(8-10-16)14(3)19-17(20)6-5-11-18-4;/h7-10,13-14,18H,5-6,11-12H2,1-4H3,(H,19,20);1H.
What are the key properties of 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119815204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).