2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride

C16H25ClN2O2 — CID 119772272

IUPAC2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
SMILESCc1ccccc1OCCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-5-2-3-6-15(13)20-10-4-9-18-16(19)12-17-11-14-7-8-14;/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19);1H
InChIKeyVDCUNXGXDYSTQW-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.30
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride (PubChem CID 119772272) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
PubChem CID119772272
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
SMILESCc1ccccc1OCCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-13-5-2-3-6-15(13)20-10-4-9-18-16(19)12-17-11-14-7-8-14;/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19);1H
InChIKeyVDCUNXGXDYSTQW-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742933
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
2-cyclopentyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 60538479
2-(methylamino)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742926
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[3-(2-methylphenoxy)propyl]acetamide
CID 124693226
2-(cyclopropylmethylamino)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 119738759
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191
2-(cyclopropylmethylamino)-N-[3-(3-methoxyphenoxy)propyl]acetamide
CID 119797671
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2-methylphenoxy)ethyl]acetamide;hydrochloride
CID 119742935
2-(cyclopropylmethylamino)-N-[3-(2,4-dichlorophenoxy)propyl]acetamide;hydrochloride
CID 119754502
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride (CID 119772272) is 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride is Cc1ccccc1OCCCNC(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride?
The InChIKey is VDCUNXGXDYSTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-13-5-2-3-6-15(13)20-10-4-9-18-16(19)12-17-11-14-7-8-14;/h2-3,5-6,14,17H,4,7-12H2,1H3,(H,18,19);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119772272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).