2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

C15H23ClN2O2 — CID 119706579

IUPAC2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(13-4-3-5-14(8-13)19-2)17-15(18)10-16-9-12-6-7-12;/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyCQGZXYMTYSAWMI-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.29
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (PubChem CID 119706579) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
PubChem CID119706579
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
SMILESCOc1cccc(C(C)NC(=O)CNCC2CC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(13-4-3-5-14(8-13)19-2)17-15(18)10-16-9-12-6-7-12;/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,17,18);1H
InChIKeyCQGZXYMTYSAWMI-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373008
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
2-(cyclopropylmethylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404899
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride (CID 119706579) is 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is COc1cccc(C(C)NC(=O)CNCC2CC2)c1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is CQGZXYMTYSAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(13-4-3-5-14(8-13)19-2)17-15(18)10-16-9-12-6-7-12;/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119706579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).