N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide

C22H27ClN2O2 — CID 97341188

IUPACN-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
SMILESCOc1cccc([C@@H](NC2CCC(NC(C)=O)CC2)c2ccccc2Cl)c1
InChIInChI=1S/C22H27ClN2O2/c1-15(26)24-17-10-12-18(13-11-17)25-22(20-8-3-4-9-21(20)23)16-6-5-7-19(14-16)27-2/h3-9,14,17-18,22,25H,10-13H2,1-2H3,(H,24,26)/t17?,18?,22-/m1/s1
InChIKeyTUCNBDFKCPAJOY-RWWKDMOOSA-N
MW386.92 g/mol
LogP4.47
Rot. Bonds6

About N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide

N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide (PubChem CID 97341188) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
PubChem CID97341188
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
SMILESCOc1cccc([C@@H](NC2CCC(NC(C)=O)CC2)c2ccccc2Cl)c1
InChIInChI=1S/C22H27ClN2O2/c1-15(26)24-17-10-12-18(13-11-17)25-22(20-8-3-4-9-21(20)23)16-6-5-7-19(14-16)27-2/h3-9,14,17-18,22,25H,10-13H2,1-2H3,(H,24,26)/t17?,18?,22-/m1/s1
InChIKeyTUCNBDFKCPAJOY-RWWKDMOOSA-N
XLogP4.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide with MolForge

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Related Compounds

N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
4-[[(2-chlorophenyl)-(2-methoxyphenyl)methyl]amino]cyclohexane-1-carboxylic acid
CID 122031584
3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
CID 122003516
4-amino-N-cyclopropyl-2-(3-methoxyphenyl)butanamide
CID 112515974
N-[(S)-(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]piperidin-4-amine
CID 164631617
4-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoylamino]butanoic acid
CID 122003514
2-(cyclopropylamino)-2-(3-methoxyphenyl)ethanol
CID 61054205
1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
CID 167966334
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
CID 99632956

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide (CID 97341188) is N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide is COc1cccc([C@@H](NC2CCC(NC(C)=O)CC2)c2ccccc2Cl)c1.
What is the InChIKey of N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide?
The InChIKey is TUCNBDFKCPAJOY-RWWKDMOOSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-15(26)24-17-10-12-18(13-11-17)25-22(20-8-3-4-9-21(20)23)16-6-5-7-19(14-16)27-2/h3-9,14,17-18,22,25H,10-13H2,1-2H3,(H,24,26)/t17?,18?,22-/m1/s1.
What are the key properties of N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide?
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 97341188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).