1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119750868

IUPAC1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-2-18(11-12-6-4-3-5-7-12)13(19)10-17-14(20)15(16)8-9-15;/h3-7H,2,8-11,16H2,1H3,(H,17,20);1H
InChIKeyWDFOUVLNHLLDFW-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.06
Rot. Bonds6

About 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119750868) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119750868
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCN(Cc1ccccc1)C(=O)CNC(=O)C1(N)CC1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-2-18(11-12-6-4-3-5-7-12)13(19)10-17-14(20)15(16)8-9-15;/h3-7H,2,8-11,16H2,1H3,(H,17,20);1H
InChIKeyWDFOUVLNHLLDFW-UHFFFAOYSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60687302
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CID 112992909
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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride (CID 119750868) is 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride is CCN(Cc1ccccc1)C(=O)CNC(=O)C1(N)CC1.Cl.
What is the InChIKey of 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is WDFOUVLNHLLDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-2-18(11-12-6-4-3-5-7-12)13(19)10-17-14(20)15(16)8-9-15;/h3-7H,2,8-11,16H2,1H3,(H,17,20);1H.
What are the key properties of 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119750868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).