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

C19H30FN3O — CID 66702807

IUPAC3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CCN)CC1
InChIInChI=1S/C19H30FN3O/c1-23(2)19(16-4-3-5-17(20)12-16)15-8-6-14(7-9-15)13-22-18(24)10-11-21/h3-5,12,14-15,19H,6-11,13,21H2,1-2H3,(H,22,24)
InChIKeyHLEBSOXDKYOUCQ-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.70
Rot. Bonds7

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

3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide (PubChem CID 66702807) has the molecular formula C19H30FN3O and a molecular weight of 335.47 g/mol. Its IUPAC name is 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
PubChem CID66702807
Molecular FormulaC19H30FN3O
Molecular Weight335.47 g/mol
Exact Mass335.24
IUPAC Name3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
SMILESCN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CCN)CC1
InChIInChI=1S/C19H30FN3O/c1-23(2)19(16-4-3-5-17(20)12-16)15-8-6-14(7-9-15)13-22-18(24)10-11-21/h3-5,12,14-15,19H,6-11,13,21H2,1-2H3,(H,22,24)
InChIKeyHLEBSOXDKYOUCQ-UHFFFAOYSA-N
XLogP2.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
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
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
CID 98136078
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide
CID 119337806
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
CID 67357556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide (CID 66702807) is 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide is CN(C)C(c1cccc(F)c1)C1CCC(CNC(=O)CCN)CC1.
What is the InChIKey of 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide?
The InChIKey is HLEBSOXDKYOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O/c1-23(2)19(16-4-3-5-17(20)12-16)15-8-6-14(7-9-15)13-22-18(24)10-11-21/h3-5,12,14-15,19H,6-11,13,21H2,1-2H3,(H,22,24).
What are the key properties of 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide?
3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide has a molecular weight of 335.47 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide is sourced from PubChem (CID 66702807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).