1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

C18H27ClN2O2 — CID 119805841

IUPAC1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(CCN(CC2CCCO2)C(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-14-4-6-15(7-5-14)8-11-20(13-16-3-2-12-22-16)17(21)18(19)9-10-18;/h4-7,16H,2-3,8-13,19H2,1H3;1H
InChIKeyYTPZUOMZCGRJKU-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.46
Rot. Bonds6

About 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119805841) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119805841
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCc1ccc(CCN(CC2CCCO2)C(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-14-4-6-15(7-5-14)8-11-20(13-16-3-2-12-22-16)17(21)18(19)9-10-18;/h4-7,16H,2-3,8-13,19H2,1H3;1H
InChIKeyYTPZUOMZCGRJKU-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848
4-amino-3-methoxy-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)butanamide;hydrochloride
CID 120593485
4-[2-(4-methylphenyl)ethyl-(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673914
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119805868
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935357
3-amino-N-[2-(4-methylphenyl)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazine-2-carboxamide
CID 96568637
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 71993852
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-4-methylsulfanyl-N-(oxolan-2-ylmethyl)butanamide
CID 119336274
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 71993854
N-[2-(4-methylphenyl)ethyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 97070355
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119805871
N-(dimethylsulfamoyl)-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 71997165

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (CID 119805841) is 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is Cc1ccc(CCN(CC2CCCO2)C(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is YTPZUOMZCGRJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-14-4-6-15(7-5-14)8-11-20(13-16-3-2-12-22-16)17(21)18(19)9-10-18;/h4-7,16H,2-3,8-13,19H2,1H3;1H.
What are the key properties of 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).