1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride

C18H29Cl2N3O2 — CID 119853786

IUPAC1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccccc2N2CCOCC2)CCCCC1
InChIInChI=1S/C18H27N3O2.2ClH/c19-18(8-4-1-5-9-18)17(22)20-14-15-6-2-3-7-16(15)21-10-12-23-13-11-21;;/h2-3,6-7H,1,4-5,8-14,19H2,(H,20,22);2*1H
InChIKeyAUJMZTBHBVUBCV-UHFFFAOYSA-N
MW390.36 g/mol
LogP2.64
Rot. Bonds4

About 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119853786) has the molecular formula C18H29Cl2N3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119853786
Molecular FormulaC18H29Cl2N3O2
Molecular Weight390.36 g/mol
Exact Mass389.16
IUPAC Name1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2ccccc2N2CCOCC2)CCCCC1
InChIInChI=1S/C18H27N3O2.2ClH/c19-18(8-4-1-5-9-18)17(22)20-14-15-6-2-3-7-16(15)21-10-12-23-13-11-21;;/h2-3,6-7H,1,4-5,8-14,19H2,(H,20,22);2*1H
InChIKeyAUJMZTBHBVUBCV-UHFFFAOYSA-N
XLogP2.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
1-amino-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847219
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
4-methoxy-N-[(2-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853784
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
1-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119865229
1-amino-N-[(2-ethylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119331950
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
1-amino-N-[(2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119270631

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119853786) is 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCc2ccccc2N2CCOCC2)CCCCC1.
What is the InChIKey of 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is AUJMZTBHBVUBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.2ClH/c19-18(8-4-1-5-9-18)17(22)20-14-15-6-2-3-7-16(15)21-10-12-23-13-11-21;;/h2-3,6-7H,1,4-5,8-14,19H2,(H,20,22);2*1H.
What are the key properties of 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 390.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119853786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).