3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride

C20H33Cl2N3O2 — CID 119883213

IUPAC3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1
InChIInChI=1S/C20H31N3O2.2ClH/c21-18-8-4-7-17(14-18)20(24)22-19(13-16-5-2-1-3-6-16)15-23-9-11-25-12-10-23;;/h1-3,5-6,17-19H,4,7-15,21H2,(H,22,24);2*1H
InChIKeyNGAPRKVCTVRVAC-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119883213) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119883213
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC Name3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1
InChIInChI=1S/C20H31N3O2.2ClH/c21-18-8-4-7-17(14-18)20(24)22-19(13-16-5-2-1-3-6-16)15-23-9-11-25-12-10-23;;/h1-3,5-6,17-19H,4,7-15,21H2,(H,22,24);2*1H
InChIKeyNGAPRKVCTVRVAC-UHFFFAOYSA-N
XLogP2.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214
2-(cyclopropylmethylamino)-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)acetamide
CID 119883220
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
4-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)pentanamide;dihydrochloride
CID 120565520
(2S)-2-methoxy-N-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]propanamide
CID 95621536
3-methyl-N-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]butanamide
CID 95621532
3-methyl-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)butanamide
CID 56787230
5-methyl-1-[(1-morpholin-4-yl-3-phenylpropan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122122754
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119883213) is 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NC(Cc2ccccc2)CN2CCOCC2)C1.
What is the InChIKey of 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is NGAPRKVCTVRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c21-18-8-4-7-17(14-18)20(24)22-19(13-16-5-2-1-3-6-16)15-23-9-11-25-12-10-23;;/h1-3,5-6,17-19H,4,7-15,21H2,(H,22,24);2*1H.
What are the key properties of 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119883213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).