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

C21H29ClN2O2 — CID 119802421

IUPACN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(23(3)21(24)10-7-15-22-2)17-11-13-18(14-12-17)19-8-5-6-9-20(19)25-4;/h5-6,8-9,11-14,16,22H,7,10,15H2,1-4H3;1H
InChIKeyKCILXAJBKONVIL-UHFFFAOYSA-N
MW376.93 g/mol
LogP4.30
Rot. Bonds8

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

N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (PubChem CID 119802421) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
PubChem CID119802421
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl
InChIInChI=1S/C21H28N2O2.ClH/c1-16(23(3)21(24)10-7-15-22-2)17-11-13-18(14-12-17)19-8-5-6-9-20(19)25-4;/h5-6,8-9,11-14,16,22H,7,10,15H2,1-4H3;1H
InChIKeyKCILXAJBKONVIL-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
4-amino-3-methoxy-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylbutanamide
CID 120593275
3-[1-[4-(2-methoxyphenyl)phenyl]ethyl-methylamino]-N-methylpropanamide
CID 71999792
2-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylpentanamide;hydrochloride
CID 119334352
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119802438
N'-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylethane-1,2-diamine
CID 166238464
6-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]hexan-3-ol
CID 166197123
4-amino-N-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propan-2-ylbutanamide;hydrochloride
CID 119334370
3-[1-[4-(2-methoxyphenyl)phenyl]ethylamino]propan-1-ol
CID 166198762
4-(1,3-dioxoisoindol-2-yl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbutanamide
CID 46588371
3-amino-N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119802425
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride (CID 119802421) is N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)N(C)C(C)c1ccc(-c2ccccc2OC)cc1.Cl.
What is the InChIKey of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
The InChIKey is KCILXAJBKONVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2.ClH/c1-16(23(3)21(24)10-7-15-22-2)17-11-13-18(14-12-17)19-8-5-6-9-20(19)25-4;/h5-6,8-9,11-14,16,22H,7,10,15H2,1-4H3;1H.
What are the key properties of N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride?
N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methoxyphenyl)phenyl]ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119802421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).