3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride

C20H30ClN3O3 — CID 119741718

IUPAC3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1
InChIInChI=1S/C20H29N3O3.ClH/c21-16-3-1-2-15(12-16)20(25)22-11-10-14-4-8-18(9-5-14)26-13-19(24)23-17-6-7-17;/h4-5,8-9,15-17H,1-3,6-7,10-13,21H2,(H,22,25)(H,23,24);1H
InChIKeyGHSNLOYULMAWSX-UHFFFAOYSA-N
MW395.93 g/mol
LogP1.94
Rot. Bonds8

About 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119741718) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119741718
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1
InChIInChI=1S/C20H29N3O3.ClH/c21-16-3-1-2-15(12-16)20(25)22-11-10-14-4-8-18(9-5-14)26-13-19(24)23-17-6-7-17;/h4-5,8-9,15-17H,1-3,6-7,10-13,21H2,(H,22,25)(H,23,24);1H
InChIKeyGHSNLOYULMAWSX-UHFFFAOYSA-N
XLogP1.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
1-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119741706
methyl 4-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]benzoate;hydrochloride
CID 119701390
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
3-amino-N-[2-[4-[2-(3-methylanilino)-2-oxoethoxy]phenyl]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119750840
4-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]butanamide
CID 119299396
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
CID 119755530
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 79401214
2-[4-[2-[[amino-(2-phenylethylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075226
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 119741718) is 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)C1.
What is the InChIKey of 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GHSNLOYULMAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c21-16-3-1-2-15(12-16)20(25)22-11-10-14-4-8-18(9-5-14)26-13-19(24)23-17-6-7-17;/h4-5,8-9,15-17H,1-3,6-7,10-13,21H2,(H,22,25)(H,23,24);1H.
What are the key properties of 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119741718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).