N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide

C18H28N2O2 — CID 99632956

IUPACN-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H](C)COc2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-13-5-4-6-18(11-13)22-12-14(2)19-16-7-9-17(10-8-16)20-15(3)21/h4-6,11,14,16-17,19H,7-10,12H2,1-3H3,(H,20,21)/t14-,16?,17?/m0/s1
InChIKeyISFGCSFMVKZJPC-OOHWJJMZSA-N
MW304.43 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide

N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide (PubChem CID 99632956) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
PubChem CID99632956
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(N[C@@H](C)COc2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-13-5-4-6-18(11-13)22-12-14(2)19-16-7-9-17(10-8-16)20-15(3)21/h4-6,11,14,16-17,19H,7-10,12H2,1-3H3,(H,20,21)/t14-,16?,17?/m0/s1
InChIKeyISFGCSFMVKZJPC-OOHWJJMZSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
1-(2,2-difluoroethyl)-N-[1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 75427712
1-(2,2-difluoroethyl)-N-[(2R)-1-(3-methylphenoxy)propan-2-yl]piperidin-4-amine
CID 97321883
N-[(2R)-1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 94503636
N-[1-(3-methylphenoxy)propan-2-yl]pyrrolidine-1-carboxamide
CID 60568058
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
3-hydroxy-N-[1-(3-methylphenoxy)propan-2-yl]piperidine-1-carboxamide
CID 110903274
N-cyclopropyl-2-[[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]acetamide
CID 26005258
4-[1-(4-methylphenoxy)propan-2-ylamino]cyclohexan-1-ol
CID 106594454
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide (CID 99632956) is N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(N[C@@H](C)COc2cccc(C)c2)CC1.
What is the InChIKey of N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide?
The InChIKey is ISFGCSFMVKZJPC-OOHWJJMZSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-5-4-6-18(11-13)22-12-14(2)19-16-7-9-17(10-8-16)20-15(3)21/h4-6,11,14,16-17,19H,7-10,12H2,1-3H3,(H,20,21)/t14-,16?,17?/m0/s1.
What are the key properties of N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide?
N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-1-(3-methylphenoxy)propan-2-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 99632956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).