N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide

C17H25NO2 — CID 110014569

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2CCCC2O)c(C)c1
InChIInChI=1S/C17H25NO2/c1-11-7-8-14(12(2)9-11)10-13(3)18-17(20)15-5-4-6-16(15)19/h7-9,13,15-16,19H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyIAJRDLFYUBTSAD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110014569) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110014569
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide
SMILESCc1ccc(CC(C)NC(=O)C2CCCC2O)c(C)c1
InChIInChI=1S/C17H25NO2/c1-11-7-8-14(12(2)9-11)10-13(3)18-17(20)15-5-4-6-16(15)19/h7-9,13,15-16,19H,4-6,10H2,1-3H3,(H,18,20)
InChIKeyIAJRDLFYUBTSAD-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119779218
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119779219
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119321004
N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119321028
1-[1-(2,4-dimethylphenyl)propan-2-yl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111506164
3-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779216
1-amino-N-[(2S)-1-(2,4-dimethylphenyl)propan-2-yl]-3-hydroxycyclobutane-1-carboxamide
CID 164636835
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
CID 143639274
2-[[1-[1-(2,4-dimethylphenyl)propan-2-ylcarbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122001465
4-(2-amino-2-oxoethyl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 56784402
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
CID 119779245

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide (CID 110014569) is N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide is Cc1ccc(CC(C)NC(=O)C2CCCC2O)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is IAJRDLFYUBTSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-11-7-8-14(12(2)9-11)10-13(3)18-17(20)15-5-4-6-16(15)19/h7-9,13,15-16,19H,4-6,10H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110014569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).