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

C14H23ClN2O2 — CID 119273367

IUPAC3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CCN)C(C)C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10(2)14(16-13(17)8-9-15)11-4-6-12(18-3)7-5-11;/h4-7,10,14H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyZXXVPQIGOXTCDH-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.28
Rot. Bonds6

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

3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride (PubChem CID 119273367) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
PubChem CID119273367
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride
SMILESCOc1ccc(C(NC(=O)CCN)C(C)C)cc1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10(2)14(16-13(17)8-9-15)11-4-6-12(18-3)7-5-11;/h4-7,10,14H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyZXXVPQIGOXTCDH-UHFFFAOYSA-N
XLogP2.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119693475
2-anilino-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693477
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250
2-(4-methoxyphenyl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 974465
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119693481
2-(4-methoxyphenoxy)-N-[(1R)-2-methyl-1-phenylpropyl]acetamide
CID 9050798
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-(1,3-dioxoisoindol-2-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 18200491

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride (CID 119273367) is 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride is COc1ccc(C(NC(=O)CCN)C(C)C)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
The InChIKey is ZXXVPQIGOXTCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10(2)14(16-13(17)8-9-15)11-4-6-12(18-3)7-5-11;/h4-7,10,14H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride?
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.28, 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]propanamide;hydrochloride is sourced from PubChem (CID 119273367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).