2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride

C16H25ClN2O3 — CID 119726882

IUPAC2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-3-6-14(15(9-12)21-8-7-20-2)18-16(19)11-17-10-13-4-5-13;/h3,6,9,13,17H,4-5,7-8,10-11H2,1-2H3,(H,18,19);1H
InChIKeyIOOMUZXGLPZWQG-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.38
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride (PubChem CID 119726882) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
PubChem CID119726882
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-3-6-14(15(9-12)21-8-7-20-2)18-16(19)11-17-10-13-4-5-13;/h3,6,9,13,17H,4-5,7-8,10-11H2,1-2H3,(H,18,19);1H
InChIKeyIOOMUZXGLPZWQG-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55950792
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
CID 119800266
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
2-(2-methoxyethylamino)-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]acetamide;hydrochloride
CID 119746938
N-[2-(2-methoxyethoxy)-4-methylphenyl]pyrrolidine-1-carboxamide
CID 47262655
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
2-(2-methoxyethylamino)-N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 119726802
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride (CID 119726882) is 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride is COCCOc1cc(C)ccc1NC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride?
The InChIKey is IOOMUZXGLPZWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12-3-6-14(15(9-12)21-8-7-20-2)18-16(19)11-17-10-13-4-5-13;/h3,6,9,13,17H,4-5,7-8,10-11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 119726882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).