4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride

C17H29ClN2O2 — CID 119759011

IUPAC4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1OCCC(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14(2)10-12-21-16-8-5-4-7-15(16)13-19-17(20)9-6-11-18-3;/h4-5,7-8,14,18H,6,9-13H2,1-3H3,(H,19,20);1H
InChIKeyJVJLSDDTDVEZQP-UHFFFAOYSA-N
MW328.88 g/mol
LogP3.15
Rot. Bonds10

About 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride

4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride (PubChem CID 119759011) has the molecular formula C17H29ClN2O2 and a molecular weight of 328.88 g/mol. Its IUPAC name is 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
PubChem CID119759011
Molecular FormulaC17H29ClN2O2
Molecular Weight328.88 g/mol
Exact Mass328.19
IUPAC Name4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCc1ccccc1OCCC(C)C.Cl
InChIInChI=1S/C17H28N2O2.ClH/c1-14(2)10-12-21-16-8-5-4-7-15(16)13-19-17(20)9-6-11-18-3;/h4-5,7-8,14,18H,6,9-13H2,1-3H3,(H,19,20);1H
InChIKeyJVJLSDDTDVEZQP-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.88
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide;hydrochloride
CID 119777786
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
4-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]butanamide
CID 119777787
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
CID 60618262
2-cyclopentylsulfonyl-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 60622067
(2S)-2-amino-N-[[2-(3-methylbutoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119309297
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]butanamide;hydrochloride
CID 119741270
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride (CID 119759011) is 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride is CNCCCC(=O)NCc1ccccc1OCCC(C)C.Cl.
What is the InChIKey of 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is JVJLSDDTDVEZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2.ClH/c1-14(2)10-12-21-16-8-5-4-7-15(16)13-19-17(20)9-6-11-18-3;/h4-5,7-8,14,18H,6,9-13H2,1-3H3,(H,19,20);1H.
What are the key properties of 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride?
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 328.88 g/mol, XLogP of 3.15, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 119759011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).