1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

C21H27ClN2O2 — CID 119283171

IUPAC1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C21H26N2O2.ClH/c22-21(13-5-2-6-14-21)20(24)23-15-17-9-11-19(12-10-17)25-16-18-7-3-1-4-8-18;/h1,3-4,7-12H,2,5-6,13-16,22H2,(H,23,24);1H
InChIKeyGDKAQNCLEPDSGT-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.97
Rot. Bonds6

About 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119283171) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119283171
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCCCC1
InChIInChI=1S/C21H26N2O2.ClH/c22-21(13-5-2-6-14-21)20(24)23-15-17-9-11-19(12-10-17)25-16-18-7-3-1-4-8-18;/h1,3-4,7-12H,2,5-6,13-16,22H2,(H,23,24);1H
InChIKeyGDKAQNCLEPDSGT-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
1-amino-N-phenylmethoxycyclopentane-1-carboxamide
CID 21491908
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-amino-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845701
1-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119276278
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-[[3-(2-amino-2-oxoethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119302175
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119566231
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119283171) is 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is GDKAQNCLEPDSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c22-21(13-5-2-6-14-21)20(24)23-15-17-9-11-19(12-10-17)25-16-18-7-3-1-4-8-18;/h1,3-4,7-12H,2,5-6,13-16,22H2,(H,23,24);1H.
What are the key properties of 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119283171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).