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

C19H31Cl2N3O2 — CID 119853222

IUPAC3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC(c2ccccc2)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-3,5-6,16-18H,4,7-14,20H2,(H,21,23);2*1H
InChIKeyKYSWBLAVIQGZHQ-UHFFFAOYSA-N
MW404.38 g/mol
LogP2.54
Rot. Bonds5

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

3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119853222) has the molecular formula C19H31Cl2N3O2 and a molecular weight of 404.38 g/mol. Its IUPAC name is 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119853222
Molecular FormulaC19H31Cl2N3O2
Molecular Weight404.38 g/mol
Exact Mass403.18
IUPAC Name3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCC(C(=O)NCC(c2ccccc2)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-3,5-6,16-18H,4,7-14,20H2,(H,21,23);2*1H
InChIKeyKYSWBLAVIQGZHQ-UHFFFAOYSA-N
XLogP2.54
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
3-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119875146
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]cyclohexane-1-carboxamide
CID 119830140
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 51630213
3-amino-N-(1-morpholin-4-yl-3-phenylpropan-2-yl)cyclohexane-1-carboxamide
CID 119883214
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46482976
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976
3-amino-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119830666

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride (CID 119853222) is 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC1CCCC(C(=O)NCC(c2ccccc2)N2CCOCC2)C1.
What is the InChIKey of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is KYSWBLAVIQGZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.2ClH/c20-17-8-4-7-16(13-17)19(23)21-14-18(15-5-2-1-3-6-15)22-9-11-24-12-10-22;;/h1-3,5-6,16-18H,4,7-14,20H2,(H,21,23);2*1H.
What are the key properties of 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 404.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119853222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).