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

C15H25ClN2O2 — CID 120873398

IUPAC3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCOc1cccc(C(C)(C)CNC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(16)8-14(18)17-10-15(2,3)12-6-5-7-13(9-12)19-4;/h5-7,9,11H,8,10,16H2,1-4H3,(H,17,18);1H
InChIKeyHBZGDNKFDOSVGN-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.25
Rot. Bonds6

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

3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride (PubChem CID 120873398) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
PubChem CID120873398
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
SMILESCOc1cccc(C(C)(C)CNC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11(16)8-14(18)17-10-15(2,3)12-6-5-7-13(9-12)19-4;/h5-7,9,11H,8,10,16H2,1-4H3,(H,17,18);1H
InChIKeyHBZGDNKFDOSVGN-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
[2-(3-methoxyphenyl)-2-methylpropyl]carbamothioic S-acid
CID 115170588
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
1-cyano-N-[2-(3-methoxyphenyl)-2-methylpropyl]formamide
CID 115172833
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
3-amino-N-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]butanamide;hydrochloride
CID 119760047
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
N'-[2-(3-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,3-diamine
CID 115198963
4-amino-N-[2-(3-bromophenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120591285
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride (CID 120873398) is 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride is COc1cccc(C(C)(C)CNC(=O)CC(C)N)c1.Cl.
What is the InChIKey of 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
The InChIKey is HBZGDNKFDOSVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11(16)8-14(18)17-10-15(2,3)12-6-5-7-13(9-12)19-4;/h5-7,9,11H,8,10,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride?
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride is sourced from PubChem (CID 120873398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).