2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide

C18H28FN3O — CID 66703268

IUPAC2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CN)CC1
InChIInChI=1S/C18H28FN3O/c1-22(2)18(15-4-3-5-16(19)10-15)14-8-6-13(7-9-14)12-21-17(23)11-20/h3-5,10,13-14,18H,6-9,11-12,20H2,1-2H3,(H,21,23)
InChIKeyONJHRDZSVXRBMH-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.31
Rot. Bonds6

About 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide

2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide (PubChem CID 66703268) has the molecular formula C18H28FN3O and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
PubChem CID66703268
Molecular FormulaC18H28FN3O
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CN)CC1
InChIInChI=1S/C18H28FN3O/c1-22(2)18(15-4-3-5-16(19)10-15)14-8-6-13(7-9-14)12-21-17(23)11-20/h3-5,10,13-14,18H,6-9,11-12,20H2,1-2H3,(H,21,23)
InChIKeyONJHRDZSVXRBMH-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
CID 66702807
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91061085
N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-3,3-dimethylbutanamide
CID 66994456
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81365357
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 66994392
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl] 2-methyl-5-phenylfuran-3-carboxylate
CID 175260440
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
methyl 4-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-3-(1-phenylethyl)-5-propyl-4H-imidazole-5-carboxylate
CID 172833828
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
CID 98136078
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide (CID 66703268) is 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide is CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CN)CC1.
What is the InChIKey of 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide?
The InChIKey is ONJHRDZSVXRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN3O/c1-22(2)18(15-4-3-5-16(19)10-15)14-8-6-13(7-9-14)12-21-17(23)11-20/h3-5,10,13-14,18H,6-9,11-12,20H2,1-2H3,(H,21,23).
What are the key properties of 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide?
2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide has a molecular weight of 321.44 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 66703268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).