3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C20H25ClN2O2 — CID 119732512

IUPAC3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O2.ClH/c21-17-8-5-7-16(13-17)20(23)22-14-15-6-4-11-19(12-15)24-18-9-2-1-3-10-18;/h1-4,6,9-12,16-17H,5,7-8,13-14,21H2,(H,22,23);1H
InChIKeyTTWHKKIMTGQQDO-UHFFFAOYSA-N
MW360.88 g/mol
LogP4.03
Rot. Bonds5

About 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119732512) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.88 g/mol. Its IUPAC name is 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119732512
Molecular FormulaC20H25ClN2O2
Molecular Weight360.88 g/mol
Exact Mass360.16
IUPAC Name3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)NCc2cccc(Oc3ccccc3)c2)C1
InChIInChI=1S/C20H24N2O2.ClH/c21-17-8-5-7-16(13-17)20(23)22-14-15-6-4-11-19(12-15)24-18-9-2-1-3-10-18;/h1-4,6,9-12,16-17H,5,7-8,13-14,21H2,(H,22,23);1H
InChIKeyTTWHKKIMTGQQDO-UHFFFAOYSA-N
XLogP4.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119723309
cis-(1R,3S)-3-amino-N-[(3-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 74246620
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
3-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119867333
3-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751138
3-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119769398
(1S,6R)-6-amino-N-[(3-phenoxyphenyl)methyl]cyclohex-3-ene-1-carboxamide
CID 167936736
3-[[(3-aminocyclohexanecarbonyl)amino]methyl]-N-[(4-methylphenyl)methyl]benzamide;hydrochloride
CID 119722813

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119732512) is 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)NCc2cccc(Oc3ccccc3)c2)C1.
What is the InChIKey of 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is TTWHKKIMTGQQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.ClH/c21-17-8-5-7-16(13-17)20(23)22-14-15-6-4-11-19(12-15)24-18-9-2-1-3-10-18;/h1-4,6,9-12,16-17H,5,7-8,13-14,21H2,(H,22,23);1H.
What are the key properties of 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 360.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-phenoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119732512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).