1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

C21H34Cl2N4O3 — CID 119849215

IUPAC1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCCC1
InChIInChI=1S/C21H32N4O3.2ClH/c22-21(8-2-1-3-9-21)20(27)23-16-17-5-4-6-18(15-17)24-19(26)7-10-25-11-13-28-14-12-25;;/h4-6,15H,1-3,7-14,16,22H2,(H,23,27)(H,24,26);2*1H
InChIKeyKNEKLPMDYHDMPB-UHFFFAOYSA-N
MW461.43 g/mol
LogP2.47
Rot. Bonds7

About 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119849215) has the molecular formula C21H34Cl2N4O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119849215
Molecular FormulaC21H34Cl2N4O3
Molecular Weight461.43 g/mol
Exact Mass460.20
IUPAC Name1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCCC1
InChIInChI=1S/C21H32N4O3.2ClH/c22-21(8-2-1-3-9-21)20(27)23-16-17-5-4-6-18(15-17)24-19(26)7-10-25-11-13-28-14-12-25;;/h4-6,15H,1-3,7-14,16,22H2,(H,23,27)(H,24,26);2*1H
InChIKeyKNEKLPMDYHDMPB-UHFFFAOYSA-N
XLogP2.47
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-(4-chlorophenyl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclobutane-1-carboxamide
CID 60536152
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
3-morpholin-4-yl-N-[3-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide;dihydrochloride
CID 119849221
3-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-1-oxo-4H-isochromene-3-carboxamide
CID 55887724
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide
CID 119849198

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119849215) is 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCCC1.
What is the InChIKey of 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is KNEKLPMDYHDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3.2ClH/c22-21(8-2-1-3-9-21)20(27)23-16-17-5-4-6-18(15-17)24-19(26)7-10-25-11-13-28-14-12-25;;/h4-6,15H,1-3,7-14,16,22H2,(H,23,27)(H,24,26);2*1H.
What are the key properties of 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 461.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119849215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).