4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride

C15H25ClN2O2 — CID 120588742

IUPAC4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCCN(Cc1ccccc1C)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)9-14(10-16)19-3)11-13-8-6-5-7-12(13)2;/h5-8,14H,4,9-11,16H2,1-3H3;1H
InChIKeySLOFISVEKICQOA-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.13
Rot. Bonds7

About 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride

4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (PubChem CID 120588742) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
PubChem CID120588742
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
SMILESCCN(Cc1ccccc1C)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)9-14(10-16)19-3)11-13-8-6-5-7-12(13)2;/h5-8,14H,4,9-11,16H2,1-3H3;1H
InChIKeySLOFISVEKICQOA-UHFFFAOYSA-N
XLogP2.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120591120
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CID 120589443
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153
4-amino-N-benzyl-3-methoxy-N-propylbutanamide;hydrochloride
CID 120586847
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120587229
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
CID 79204952
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
4-amino-N-[[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120592661
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
4-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methoxybutanamide
CID 103156901
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride (CID 120588742) is 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride is CCN(Cc1ccccc1C)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
The InChIKey is SLOFISVEKICQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-17(15(18)9-14(10-16)19-3)11-13-8-6-5-7-12(13)2;/h5-8,14H,4,9-11,16H2,1-3H3;1H.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride?
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 120588742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).