2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride

C17H27ClN2O3 — CID 119777153

IUPAC2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCOc1ccc(CC(C)NC(=O)CNCC2CC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(19-17(20)11-18-10-13-4-5-13)8-14-6-7-15(21-2)16(9-14)22-3;/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeySVZLYDPQTUYKPL-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.17
Rot. Bonds9

About 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride (PubChem CID 119777153) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
PubChem CID119777153
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride
SMILESCOc1ccc(CC(C)NC(=O)CNCC2CC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-12(19-17(20)11-18-10-13-4-5-13)8-14-6-7-15(21-2)16(9-14)22-3;/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H
InChIKeySVZLYDPQTUYKPL-UHFFFAOYSA-N
XLogP2.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156
4-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3-methoxybutanamide
CID 120591848
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 139749507
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 60866567
2-(cyclopropylmethylamino)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]acetamide;hydrochloride
CID 119767848
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-2-carboxamide
CID 119319806
1-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopentane-1-carboxamide
CID 119319826
3-amino-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]benzamide
CID 119777160
(1R,2S,4S)-N-[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 124606360
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propanamide
CID 43545329
2-(cyclopropylmethylamino)-N-(1-hydroxypropan-2-yl)acetamide
CID 60841587

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride (CID 119777153) is 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride is COc1ccc(CC(C)NC(=O)CNCC2CC2)cc1OC.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride?
The InChIKey is SVZLYDPQTUYKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-12(19-17(20)11-18-10-13-4-5-13)8-14-6-7-15(21-2)16(9-14)22-3;/h6-7,9,12-13,18H,4-5,8,10-11H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 119777153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).