N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide

C18H24N2O2 — CID 111446250

IUPACN-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C18H24N2O2/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)17(21)12-18(22)9-3-4-10-18/h5-8,22H,2-4,9-12,14H2,1H3
InChIKeyGJTFKVVPYDYRQZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.99
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide

N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide (PubChem CID 111446250) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
PubChem CID111446250
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide
SMILESCCCN(Cc1ccc(C#N)cc1)C(=O)CC1(O)CCCC1
InChIInChI=1S/C18H24N2O2/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)17(21)12-18(22)9-3-4-10-18/h5-8,22H,2-4,9-12,14H2,1H3
InChIKeyGJTFKVVPYDYRQZ-UHFFFAOYSA-N
XLogP2.99
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-3-oxo-N-propylbutanamide
CID 54876667
1-amino-N-[(4-cyanophenyl)methyl]-N-propylcyclopropane-1-carboxamide
CID 65466399
N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63143620
N-[(4-cyanophenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]-N-propylacetamide
CID 115949755
4-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-propylbutanamide
CID 103155115
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
N-[(4-cyanophenyl)methyl]-N-propyl-3-thiophen-2-ylpropanamide
CID 52573104
2-amino-N-[(4-cyanophenyl)methyl]-2-methyl-N-propylbutanamide
CID 79805228
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide (CID 111446250) is N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide is CCCN(Cc1ccc(C#N)cc1)C(=O)CC1(O)CCCC1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide?
The InChIKey is GJTFKVVPYDYRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-11-20(14-16-7-5-15(13-19)6-8-16)17(21)12-18(22)9-3-4-10-18/h5-8,22H,2-4,9-12,14H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide?
N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide has a molecular weight of 300.40 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-2-(1-hydroxycyclopentyl)-N-propylacetamide is sourced from PubChem (CID 111446250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).