3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride

C15H25ClN2O2 — CID 119693493

IUPAC3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC(C)N)C(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)15(17-14(18)9-11(3)16)12-5-7-13(19-4)8-6-12;/h5-8,10-11,15H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyFUAYLJXNKJOOND-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.67
Rot. Bonds6

About 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride

3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride (PubChem CID 119693493) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
PubChem CID119693493
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CC(C)N)C(C)C)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-10(2)15(17-14(18)9-11(3)16)12-5-7-13(19-4)8-6-12;/h5-8,10-11,15H,9,16H2,1-4H3,(H,17,18);1H
InChIKeyFUAYLJXNKJOOND-UHFFFAOYSA-N
XLogP2.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
CID 119273367
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
2-anilino-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693477
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492
2-(4-bromophenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048719

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride (CID 119693493) is 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride is COc1ccc(C(NC(=O)CC(C)N)C(C)C)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The InChIKey is FUAYLJXNKJOOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-10(2)15(17-14(18)9-11(3)16)12-5-7-13(19-4)8-6-12;/h5-8,10-11,15H,9,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride is sourced from PubChem (CID 119693493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).